ChemSpider 2D Image | 4-(2-{4-[(11R)-3,7-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-[(11R)-3,7-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 ID8093021

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperidinecarboxamide, 4-[2-[4-[(11R)-3,7-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-[(11R)-3,7-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-[(11R)-3,7-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-[(11R)-3,7-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-[(11R)-3,7-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
4-{2-[4-((R)-3,7-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-piperidin-1-yl]-2-oxo-ethyl}-piperidine-1-carboxylic acid amide
Trihalobenzocycloheptapyridine Tricyclic Compound 49

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

Density: 1.5±0.1 g/cm3
Boiling Point: 722.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.7±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: 1
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5668.13
ACD/KOC (pH 5.5): 16909.52
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5675.98
ACD/KOC (pH 7.4): 16932.95
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

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