ChemSpider 2D Image | N-{3-Methoxy-4-[2-(2-pyridinyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]-3-(1H-pyrazol-1-ylmethyl)benzamide | C32H35N5O4

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

  • Molecular FormulaC32H35N5O4
  • Average mass553.651 Da
  • Monoisotopic mass553.268921 Da
  • ChemSpider ID22864759

  • 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-(1H-pyrazol-1-ylmethyl)- [ACD/Index Name]
N-{3-Methoxy-4-[2-(2-pyridinyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]-3-(1H-pyrazol-1-ylmethyl)benzamid [German] [ACD/IUPAC Name]
N-{3-Methoxy-4-[2-(2-pyridinyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]-3-(1H-pyrazol-1-ylmethyl)benzamide [ACD/IUPAC Name]
N-{3-Méthoxy-4-[2-(2-pyridinyl)éthoxy]benzyl}-N-[(3S)-2-oxo-3-azépanyl]-3-(1H-pyrazol-1-ylméthyl)benzamide [French] [ACD/IUPAC Name]
N-({3-METHOXY-4-[2-(PYRIDIN-2-YL)ETHOXY]PHENYL}METHYL)-N-[(3S)-2-OXOAZEPAN-3-YL]-3-(PYRAZOL-1-YLMETHYL)BENZAMIDE
N-({3-METHOXY-4-[2-(PYRIDIN-2-YL)ETHOXY]PHENYL}METHYL)-N-[(3S)-2-OXOAZEPAN-3-YL]-3-[(1H-PYRAZOL-1-YL)METHYL]BENZAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 828.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 454.7±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 158.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 19.07
ACD/KOC (pH 5.5): 255.02
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.75
ACD/KOC (pH 7.4): 384.49
Polar Surface Area: 99 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 446.7±7.0 cm3

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