ChemSpider 2D Image | BMS-344577 | C31H37N7O5

BMS-344577

  • Molecular FormulaC31H37N7O5
  • Average mass587.669 Da
  • Monoisotopic mass587.285645 Da
  • ChemSpider ID8229651

More details:

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

2,5-Pyridinedicarboxamide, N5-[(Z)-[[hexahydro-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-azepin-3-yl]imino][(2-methyl-5-benzofuranyl)amino]methyl]-N2,N2-dimethyl- [ACD/Index Name]
BMS-344577
N2,N2-Dimethyl-N5-[N-(2-methyl-1-benzofuran-5-yl)-N'-{2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl}carbamimidoyl]-2,5-pyridindicarboxamid [German] [ACD/IUPAC Name]
N2,N2-Dimethyl-N5-[N-(2-methyl-1-benzofuran-5-yl)-N'-{2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl}carbamimidoyl]-2,5-pyridinedicarboxamide [ACD/IUPAC Name]
N2,N2-Diméthyl-N5-[N-(2-méthyl-1-benzofuran-5-yl)-N'-{2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)éthyl]-3-azépanyl}carbamimidoyl]-2,5-pyridinedicarboxamide [French] [ACD/IUPAC Name]
288079-93-6 [RN]
U259PQB19A

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 161.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.72
ACD/KOC (pH 5.5): 214.58
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.40
ACD/KOC (pH 7.4): 209.24
Polar Surface Area: 140 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 432.3±7.0 cm3

Click to predict properties on the Chemicalize site


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