ChemSpider 2D Image | N-{3-Methoxy-4-[2-(2-pyridinyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]-3-(2-oxo-1-imidazolidinyl)benzamide | C31H35N5O5

N-{3-Methoxy-4-[2-(2-pyridinyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]-3-(2-oxo-1-imidazolidinyl)benzamide

  • Molecular FormulaC31H35N5O5
  • Average mass557.640 Da
  • Monoisotopic mass557.263794 Da
  • ChemSpider ID22863078

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-N-[[3-methoxy-4-[2-(2-pyridinyl)ethoxy]phenyl]methyl]-3-(2-oxo-1-imidazolidinyl)- [ACD/Index Name]
N-{3-Methoxy-4-[2-(2-pyridinyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]-3-(2-oxo-1-imidazolidinyl)benzamid [German] [ACD/IUPAC Name]
N-{3-Methoxy-4-[2-(2-pyridinyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]-3-(2-oxo-1-imidazolidinyl)benzamide [ACD/IUPAC Name]
N-{3-Méthoxy-4-[2-(2-pyridinyl)éthoxy]benzyl}-N-[(3S)-2-oxo-3-azépanyl]-3-(2-oxo-1-imidazolidinyl)benzamide [French] [ACD/IUPAC Name]
N-({3-METHOXY-4-[2-(PYRIDIN-2-YL)ETHOXY]PHENYL}METHYL)-N-[(3S)-2-OXOAZEPAN-3-YL]-3-(2-OXOIMIDAZOLIDIN-1-YL)BENZAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 153.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.27
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 2.77
ACD/KOC (pH 5.5): 64.11
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.19
ACD/KOC (pH 7.4): 96.89
Polar Surface Area: 113 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 421.3±5.0 cm3

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