ChemSpider 2D Image | 4-Acetyl-N-[2-(3,5-dichlorophenyl)ethyl]-1,4-diazepane-1-carboxamide | C16H21Cl2N3O2

4-Acetyl-N-[2-(3,5-dichlorophenyl)ethyl]-1,4-diazepane-1-carboxamide

  • Molecular FormulaC16H21Cl2N3O2
  • Average mass358.263 Da
  • Monoisotopic mass357.101074 Da
  • ChemSpider ID30091753

More details:

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

1H-1,4-Diazepine-1-carboxamide, 4-acetyl-N-[2-(3,5-dichlorophenyl)ethyl]hexahydro- [ACD/Index Name]
4-Acetyl-N-[2-(3,5-dichlorophenyl)ethyl]-1,4-diazepane-1-carboxamide [ACD/IUPAC Name]
4-Acétyl-N-[2-(3,5-dichlorophényl)éthyl]-1,4-diazépane-1-carboxamide [French] [ACD/IUPAC Name]
4-Acetyl-N-[2-(3,5-dichlorphenyl)ethyl]-1,4-diazepan-1-carboxamid [German] [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: 600.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.7±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 91.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.48
ACD/KOC (pH 5.5): 826.16
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.48
ACD/KOC (pH 7.4): 826.16
Polar Surface Area: 53 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 278.7±3.0 cm3

Click to predict properties on the Chemicalize site


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