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

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

  • Molecular FormulaC27H31Br2ClN4O2
  • Average mass638.822 Da
  • Monoisotopic mass636.050232 Da
  • ChemSpider ID26000286

  • 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)-3,10-dibromo-8-chloro-6,11-dihydro-5H-cyclohepta[b]quinolin-11-yl]-1-piperidinyl]-2-oxoethyl]- [ACD/Index Name]
4-(2-{4-[(11R)-3,10-Dibrom-8-chlor-6,11-dihydro-5H-cyclohepta[b]chinolin-11-yl]-1-piperidinyl}-2-oxoethyl)-1-piperidincarboxamid [German] [ACD/IUPAC Name]
4-(2-{4-[(11R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-cyclohepta[b]quinoléin-11-yl]-1-pipéridinyl}-2-oxoéthyl)-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-(2-{4-[(11R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-cyclohepta[b]quinolin-11-yl]-1-piperidinyl}-2-oxoethyl)-1-piperidinecarboxamide [ACD/IUPAC Name]
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]-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 725.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.6±35.7 °C
Index of Refraction: 1.690
Molar Refractivity: 150.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2743.88
ACD/KOC (pH 5.5): 10064.14
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2743.89
ACD/KOC (pH 7.4): 10064.17
Polar Surface Area: 79 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 392.7±5.0 cm3

Click to predict properties on the Chemicalize site


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