ChemSpider 2D Image | N-{[(2-Methyl-1-benzofuran-5-yl)amino]({(3S)-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl}amino)methylene}nicotinamide | C28H32N6O4

N-{[(2-Methyl-1-benzofuran-5-yl)amino]({(3S)-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl}amino)methylene}nicotinamide

  • Molecular FormulaC28H32N6O4
  • Average mass516.591 Da
  • Monoisotopic mass516.248474 Da
  • ChemSpider ID24632366

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Pyridinecarboxamide, N-[[[(3S)-hexahydro-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-azepin-3-yl]amino][(2-methyl-5-benzofuranyl)amino]methylene]- [ACD/Index Name]
N-{[(2-Methyl-1-benzofuran-5-yl)amino]({(3S)-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl}amino)methylen}nicotinamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-1-benzofuran-5-yl)amino]({(3S)-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl}amino)methylene}nicotinamide [ACD/IUPAC Name]
N-{[(2-Méthyl-1-benzofuran-5-yl)amino]({(3S)-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)éthyl]-3-azépanyl}amino)méthylène}nicotinamide [French] [ACD/IUPAC Name]
N-{n'-(2-Methyl-1-Benzofuran-5-Yl)-N-[(3s)-2-Oxo-1-(2-Oxo-2-Pyrrolidin-1-Ylethyl)azepan-3-Yl]carbamimidoyl}pyridine-3-Carboxamide
288079-93-6 [RN]
BMS-344577
MBM
nicotinoyl guanidine, 22

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

Density: 1.4±0.1 g/cm3
Boiling Point: 756.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.3±35.7 °C
Index of Refraction: 1.679
Molar Refractivity: 142.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.52
ACD/KOC (pH 5.5): 410.83
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.68
ACD/KOC (pH 7.4): 412.95
Polar Surface Area: 120 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 378.0±7.0 cm3

Click to predict properties on the Chemicalize site


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