ChemSpider 2D Image | 4-{2-[4-(3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinyl]-2-oxoethyl}-1-piperidinecarboxamide | C27H31Br2ClN4O2

4-{2-[4-(3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinyl]-2-oxoethyl}-1-piperidinecarboxamide

  • Molecular FormulaC27H31Br2ClN4O2
  • Average mass638.822 Da
  • Monoisotopic mass636.050232 Da
  • ChemSpider ID8028065

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Piperidinecarboxamide, 4-[2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinyl]-2-oxoethyl]- [ACD/Index Name]
4-{2-[4-(3,10-Dibrom-8-chlor-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinyl]-2-oxoethyl}-1-piperidincarboxamid [German] [ACD/IUPAC Name]
4-{2-[4-(3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinyl]-2-oxoethyl}-1-piperidinecarboxamide [ACD/IUPAC Name]
4-{2-[4-(3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-pipéridinyl]-2-oxoéthyl}-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide
193275-85-3 [RN]
193275-86-4 [RN]
1-Piperidinecarboxamide,4-[2-[4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-piperidinyl]-2-oxoethyl]-
1-PIPERIDINECARBOXAMIDE,4-[2-[4-[(11S)-3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL]-1-PIPERIDINYL]-2-OXOETHYL]-
4-(2-(4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-yl)-1-piperidinyl)-2-oxoethyl)-1-piperidinecarboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

IOW153004F [DBID]
SCH-66336 [DBID]
  • Miscellaneous

    • Chemical Class:

      A benzocycloheptapyridine that is benzo[5,6]cyclohepta[1,2-<ital>b</ital>]pyridine which is substituted at positions 3 and 10 by bromines, at position 8 by chlorine, and at position 11 by an <element> N</element>-acetylpiperidin-4-yl group in which one of the hydrogens of the acetyl moiety has been replaced by a 1-carbamoylpiperidin-4-yl group. ChEBI CHEBI:90678
      A benzocycloheptapyridine that is benzo[5,6]cyclohepta[1,2-b]pyridine which is substituted at positions 3 and 10 by bromines, at position 8 by chlorine, and at position 11 by an N-acetylpiperidin-4-yl group in which one of the hydrogens of the acetyl moiety has been replaced by a 1-carbamoylpiperidin-4-yl group. ChEBI CHEBI:90678

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 710.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.5±35.7 °C
Index of Refraction: 1.630
Molar Refractivity: 148.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5246.86
ACD/KOC (pH 5.5): 16001.20
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5252.91
ACD/KOC (pH 7.4): 16019.64
Polar Surface Area: 80 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 415.7±3.0 cm3

Click to predict properties on the Chemicalize site


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