ChemSpider 2D Image | BMS-344577 | C31H37N7O5

BMS-344577

  • Molecular FormulaC31H37N7O5
  • Average mass587.669 Da
  • Monoisotopic mass587.285645 Da
  • ChemSpider ID24634679

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,5-Pyridinedicarboxamide, N5-[[[(3S)-hexahydro-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-azepin-3-yl]amino][(2-methyl-5-benzofuranyl)amino]methylene]-N2,N2-dimethyl- [ACD/Index Name]
288079-93-6 [RN]
BMS-344577
N2,N2-Dimethyl-N5-{[(2-methyl-1-benzofuran-5-yl)amino]({(3S)-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl}amino)methylen}-2,5-pyridindicarboxamid [German] [ACD/IUPAC Name]
N2,N2-Dimethyl-N5-{[(2-methyl-1-benzofuran-5-yl)amino]({(3S)-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl}amino)methylene}-2,5-pyridinedicarboxamide [ACD/IUPAC Name]
N2,N2-Diméthyl-N5-{[(2-méthyl-1-benzofuran-5-yl)amino]({(3S)-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)éthyl]-3-azépanyl}amino)méthylène}-2,5-pyridinedicarboxamide [French] [ACD/IUPAC Name]
U259PQB19A
(S)-N2,N2-dimethyl-N5-((2-methylbenzofuran-5-ylamino)(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)methylene)pyridine-2,5-dicarboxamide
(S,Z)-N2,N2-dimethyl-N5-(((2-methylbenzofuran-5-yl)amino)((2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)amino)methylene)pyridine-2,5-dicarboxamide
2,5-Pyridinedicarboxamide, N5-((((3S)-hexahydro-2-oxo-1-(2-oxo-2-(1-pyrrolidinyl)ethyl)-1H-azepin-3-yl)amino)((2-methyl-5-benzofuranyl)amino)methylene)-N2,N2-dimethyl-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 843.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 464.1±37.1 °C
Index of Refraction: 1.667
Molar Refractivity: 161.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.86
ACD/KOC (pH 5.5): 204.39
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.86
ACD/KOC (pH 7.4): 204.39
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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