ChemSpider 2D Image | 4-{[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}-N-(4-chlorophenyl)-1,4-diazepane-1-carboxamide | C23H21Cl2FN4O3

4-{[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}-N-(4-chlorophenyl)-1,4-diazepane-1-carboxamide

  • Molecular FormulaC23H21Cl2FN4O3
  • Average mass491.342 Da
  • Monoisotopic mass490.097473 Da
  • ChemSpider ID30080101

More details:

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

1H-1,4-Diazepine-1-carboxamide, 4-[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]-N-(4-chlorophenyl)hexahydro- [ACD/Index Name]
4-{[3-(2-Chlor-6-fluorphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}-N-(4-chlorphenyl)-1,4-diazepan-1-carboxamid [German] [ACD/IUPAC Name]
4-{[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}-N-(4-chlorophenyl)-1,4-diazepane-1-carboxamide [ACD/IUPAC Name]
4-{[3-(2-Chloro-6-fluorophényl)-5-méthyl-1,2-oxazol-4-yl]carbonyl}-N-(4-chlorophényl)-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: 1.4±0.1 g/cm3
Boiling Point: 708.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.5±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 123.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 299.77
ACD/KOC (pH 5.5): 2062.97
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 299.77
ACD/KOC (pH 7.4): 2062.92
Polar Surface Area: 79 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 347.6±3.0 cm3

Click to predict properties on the Chemicalize site


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