ChemSpider 2D Image | N-(1H-Benzimidazol-2-ylmethyl)-2-[1-(3,4-dimethoxybenzyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-2-benzazepin-2-yl]-2-phenylacetamide | C37H40N4O5

N-(1H-Benzimidazol-2-ylmethyl)-2-[1-(3,4-dimethoxybenzyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-2-benzazepin-2-yl]-2-phenylacetamide

  • Molecular FormulaC37H40N4O5
  • Average mass620.737 Da
  • Monoisotopic mass620.299866 Da
  • ChemSpider ID8343515

More details:

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

2H-2-Benzazepine-2-acetamide, N-(1H-benzimidazol-2-ylmethyl)-1-[(3,4-dimethoxyphenyl)methyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-α-phenyl- [ACD/Index Name]
N-(1H-Benzimidazol-2-ylmethyl)-2-[1-(3,4-dimethoxybenzyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-2-benzazepin-2-yl]-2-phenylacetamid [German] [ACD/IUPAC Name]
N-(1H-Benzimidazol-2-ylmethyl)-2-[1-(3,4-dimethoxybenzyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-2-benzazepin-2-yl]-2-phenylacetamide [ACD/IUPAC Name]
N-(1H-Benzimidazol-2-ylméthyl)-2-[1-(3,4-diméthoxybenzyl)-7,8-diméthoxy-1,3,4,5-tétrahydro-2H-2-benzazépin-2-yl]-2-phénylacétamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 825.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 453.2±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 179.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 4656.47
ACD/KOC (pH 5.5): 12898.49
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7316.81
ACD/KOC (pH 7.4): 20267.71
Polar Surface Area: 98 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 503.7±3.0 cm3

Click to predict properties on the Chemicalize site


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