ChemSpider 2D Image | N-[4-{4-[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]-1,4-diazepan-1-yl}-2-(2-thienyl)butyl]-3,4,5-trimethoxy-N-methylbenzamide | C35H47N5O5S

N-[4-{4-[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]-1,4-diazepan-1-yl}-2-(2-thienyl)butyl]-3,4,5-trimethoxy-N-methylbenzamide

  • Molecular FormulaC35H47N5O5S
  • Average mass649.843 Da
  • Monoisotopic mass649.329773 Da
  • ChemSpider ID8006693

More details:

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

Benzamide, N-[4-[4-[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]hexahydro-1H-1,4-diazepin-1-yl]-2-(2-thienyl)butyl]-3,4,5-trimethoxy-N-methyl- [ACD/Index Name]
N-[4-{4-[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]-1,4-diazepan-1-yl}-2-(2-thienyl)butyl]-3,4,5-trimethoxy-N-methylbenzamid [German] [ACD/IUPAC Name]
N-[4-{4-[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]-1,4-diazepan-1-yl}-2-(2-thienyl)butyl]-3,4,5-trimethoxy-N-methylbenzamide [ACD/IUPAC Name]
N-[4-{4-[1-(2-Éthoxyéthyl)-1H-benzimidazol-2-yl]-1,4-diazépan-1-yl}-2-(2-thiényl)butyl]-3,4,5-triméthoxy-N-méthylbenzamide [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: 791.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 432.6±35.7 °C
Index of Refraction: 1.603
Molar Refractivity: 183.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 1.92
ACD/KOC (pH 5.5): 4.79
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 632.27
ACD/KOC (pH 7.4): 1575.23
Polar Surface Area: 110 Å2
Polarizability: 72.7±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 533.5±7.0 cm3

Click to predict properties on the Chemicalize site


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