ChemSpider 2D Image | N-{3-[Benzyl(methyl)carbamoyl]-4-[4-(cyclopentylcarbonyl)-1,4-diazepan-1-yl]phenyl}-1,3-benzodioxole-5-carboxamide | C34H38N4O5

N-{3-[Benzyl(methyl)carbamoyl]-4-[4-(cyclopentylcarbonyl)-1,4-diazepan-1-yl]phenyl}-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC34H38N4O5
  • Average mass582.689 Da
  • Monoisotopic mass582.284241 Da
  • ChemSpider ID29267745

More details:

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

1,3-Benzodioxole-5-carboxamide, N-[4-[4-(cyclopentylcarbonyl)hexahydro-1H-1,4-diazepin-1-yl]-3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- [ACD/Index Name]
N-{3-[Benzyl(methyl)carbamoyl]-4-[4-(cyclopentylcarbonyl)-1,4-diazepan-1-yl]phenyl}-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]
N-{3-[Benzyl(methyl)carbamoyl]-4-[4-(cyclopentylcarbonyl)-1,4-diazepan-1-yl]phenyl}-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
N-{3-[Benzyl(méthyl)carbamoyl]-4-[4-(cyclopentylcarbonyl)-1,4-diazépan-1-yl]phényl}-1,3-benzodioxole-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 765.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 416.9±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 163.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 109.52
ACD/KOC (pH 5.5): 983.97
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 117.21
ACD/KOC (pH 7.4): 1053.10
Polar Surface Area: 91 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 452.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement