ChemSpider 2D Image | 4-{4-[(Cyclobutylcarbonyl)amino]-2-(1-pyrrolidinylcarbonyl)phenyl}-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide | C29H37N5O4

4-{4-[(Cyclobutylcarbonyl)amino]-2-(1-pyrrolidinylcarbonyl)phenyl}-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide

  • Molecular FormulaC29H37N5O4
  • Average mass519.635 Da
  • Monoisotopic mass519.284546 Da
  • ChemSpider ID22642019

More details:






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

1H-1,4-Diazepine-1-carboxamide, 4-[4-[(cyclobutylcarbonyl)amino]-2-(1-pyrrolidinylcarbonyl)phenyl]hexahydro-N-(4-methoxyphenyl)- [ACD/Index Name]
4-{4-[(Cyclobutylcarbonyl)amino]-2-(1-pyrrolidinylcarbonyl)phenyl}-N-(4-methoxyphenyl)-1,4-diazepan-1-carboxamid [German] [ACD/IUPAC Name]
4-{4-[(Cyclobutylcarbonyl)amino]-2-(1-pyrrolidinylcarbonyl)phenyl}-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide [ACD/IUPAC Name]
4-{4-[(Cyclobutylcarbonyl)amino]-2-(1-pyrrolidinylcarbonyl)phényl}-N-(4-méthoxyphényl)-1,4-diazépane-1-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 828.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 454.6±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 146.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 8.91
ACD/KOC (pH 5.5): 136.80
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.61
ACD/KOC (pH 7.4): 270.28
Polar Surface Area: 94 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 400.6±3.0 cm3

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