ChemSpider 2D Image | 4-{(11S)-6-[Acetamido(1-methyl-1H-imidazol-5-yl)methyl]-8-chloro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}-N-(2-methyl-2-propanyl)-1-piperazinecarboxamide | C30H36ClN7O2

4-{(11S)-6-[Acetamido(1-methyl-1H-imidazol-5-yl)methyl]-8-chloro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}-N-(2-methyl-2-propanyl)-1-piperazinecarboxamide

  • Molecular FormulaC30H36ClN7O2
  • Average mass562.106 Da
  • Monoisotopic mass561.261902 Da
  • ChemSpider ID8546055

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-Piperazinecarboxamide, 4-[(11S)-6-[(acetylamino)(1-methyl-1H-imidazol-5-yl)methyl]-8-chloro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-N-(1,1-dimethylethyl)- [ACD/Index Name]
4-{(11S)-6-[Acetamido(1-methyl-1H-imidazol-5-yl)methyl]-8-chlor-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}-N-(2-methyl-2-propanyl)-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-{(11S)-6-[Acetamido(1-methyl-1H-imidazol-5-yl)methyl]-8-chloro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}-N-(2-methyl-2-propanyl)-1-piperazinecarboxamide [ACD/IUPAC Name]
4-{(11S)-6-[Acétamido(1-méthyl-1H-imidazol-5-yl)méthyl]-8-chloro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}-N-(2-méthyl-2-propanyl)-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 850.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 468.0±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 158.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 10.11
ACD/KOC (pH 5.5): 94.09
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 93.15
ACD/KOC (pH 7.4): 866.85
Polar Surface Area: 95 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 428.3±7.0 cm3

Click to predict properties on the Chemicalize site


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