ChemSpider 2D Image | N-[2-(4-Chlorophenyl)-1-methyl-5-oxo-3-pyrrolidinyl]-6,6-difluoro-1,4-oxazepane-4-carboxamide | C17H20ClF2N3O3

N-[2-(4-Chlorophenyl)-1-methyl-5-oxo-3-pyrrolidinyl]-6,6-difluoro-1,4-oxazepane-4-carboxamide

  • Molecular FormulaC17H20ClF2N3O3
  • Average mass387.809 Da
  • Monoisotopic mass387.116119 Da
  • ChemSpider ID63508801

More details:

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

1,4-Oxazepine-4(5H)-carboxamide, N-[2-(4-chlorophenyl)-1-methyl-5-oxo-3-pyrrolidinyl]-6,6-difluorotetrahydro- [ACD/Index Name]
N-[2-(4-Chlorophenyl)-1-methyl-5-oxo-3-pyrrolidinyl]-6,6-difluoro-1,4-oxazepane-4-carboxamide [ACD/IUPAC Name]
N-[2-(4-Chlorophényl)-1-méthyl-5-oxo-3-pyrrolidinyl]-6,6-difluoro-1,4-oxazépane-4-carboxamide [French] [ACD/IUPAC Name]
N-[2-(4-Chlorphenyl)-1-methyl-5-oxo-3-pyrrolidinyl]-6,6-difluor-1,4-oxazepan-4-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 607.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 321.0±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 92.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.20
ACD/KOC (pH 5.5): 277.66
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.20
ACD/KOC (pH 7.4): 277.66
Polar Surface Area: 62 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 275.9±5.0 cm3

Click to predict properties on the Chemicalize site


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