ChemSpider 2D Image | 5-{[(2,3-Dimethylphenyl)carbamoyl]amino}-2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-(3-methoxypropyl)benzamide | C31H39N5O4

5-{[(2,3-Dimethylphenyl)carbamoyl]amino}-2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-(3-methoxypropyl)benzamide

  • Molecular FormulaC31H39N5O4
  • Average mass545.672 Da
  • Monoisotopic mass545.300232 Da
  • ChemSpider ID22593309

More details:

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

5-{[(2,3-Dimethylphenyl)carbamoyl]amino}-2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-(3-methoxypropyl)benzamid [German] [ACD/IUPAC Name]
5-{[(2,3-Dimethylphenyl)carbamoyl]amino}-2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-(3-methoxypropyl)benzamide [ACD/IUPAC Name]
5-{[(2,3-Diméthylphényl)carbamoyl]amino}-2-[4-(2-méthoxyphényl)-1-pipérazinyl]-N-(3-méthoxypropyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 5-[[[(2,3-dimethylphenyl)amino]carbonyl]amino]-2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-(3-methoxypropyl)- [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: 661.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.7±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 158.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 55.02
ACD/KOC (pH 5.5): 295.85
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 617.63
ACD/KOC (pH 7.4): 3321.21
Polar Surface Area: 95 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 450.2±3.0 cm3

Click to predict properties on the Chemicalize site


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