ChemSpider 2D Image | 4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-(diethylcarbamoyl)phenyl}-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide | C32H37N5O5

4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-(diethylcarbamoyl)phenyl}-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide

  • Molecular FormulaC32H37N5O5
  • Average mass571.667 Da
  • Monoisotopic mass571.279480 Da
  • ChemSpider ID22642296

More details:

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

1H-1,4-Diazepine-1-carboxamide, 4-[4-[(1,3-benzodioxol-5-ylcarbonyl)amino]-2-[(diethylamino)carbonyl]phenyl]hexahydro-N-(3-methylphenyl)- [ACD/Index Name]
4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-(diethylcarbamoyl)phenyl}-N-(3-methylphenyl)-1,4-diazepan-1-carboxamid [German] [ACD/IUPAC Name]
4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-(diethylcarbamoyl)phenyl}-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide [ACD/IUPAC Name]
4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-(diéthylcarbamoyl)phényl}-N-(3-méthylphényl)-1,4-diazépane-1-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: 766.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 417.3±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 161.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 73.85
ACD/KOC (pH 5.5): 742.12
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 79.06
ACD/KOC (pH 7.4): 794.43
Polar Surface Area: 103 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 443.7±3.0 cm3

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