ChemSpider 2D Image | 4-Chloro-N-(3-methylbutyl)-N-{[5-(4-methyl-1-piperazinyl)-3-phenyl-1,2-oxazol-4-yl]methyl}benzamide | C27H33ClN4O2

4-Chloro-N-(3-methylbutyl)-N-{[5-(4-methyl-1-piperazinyl)-3-phenyl-1,2-oxazol-4-yl]methyl}benzamide

  • Molecular FormulaC27H33ClN4O2
  • Average mass481.030 Da
  • Monoisotopic mass480.229218 Da
  • ChemSpider ID22695216

More details:

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

4-Chlor-N-(3-methylbutyl)-N-{[5-(4-methyl-1-piperazinyl)-3-phenyl-1,2-oxazol-4-yl]methyl}benzamid [German] [ACD/IUPAC Name]
4-Chloro-N-(3-methylbutyl)-N-{[5-(4-methyl-1-piperazinyl)-3-phenyl-1,2-oxazol-4-yl]methyl}benzamide [ACD/IUPAC Name]
4-Chloro-N-(3-méthylbutyl)-N-{[5-(4-méthyl-1-pipérazinyl)-3-phényl-1,2-oxazol-4-yl]méthyl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-chloro-N-(3-methylbutyl)-N-[[5-(4-methyl-1-piperazinyl)-3-phenyl-4-isoxazolyl]methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 670.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.3±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 136.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 51.15
ACD/KOC (pH 5.5): 219.73
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1137.62
ACD/KOC (pH 7.4): 4886.37
Polar Surface Area: 53 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 408.4±3.0 cm3

Click to predict properties on the Chemicalize site


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