ChemSpider 2D Image | N-[3-(3-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]methyl}phenoxy)propyl]-3,5-dimethoxybenzamide | C31H39N3O4

N-[3-(3-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]methyl}phenoxy)propyl]-3,5-dimethoxybenzamide

  • Molecular FormulaC31H39N3O4
  • Average mass517.659 Da
  • Monoisotopic mass517.294067 Da
  • ChemSpider ID22143280

More details:

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

Benzamide, N-[3-[3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]phenoxy]propyl]-3,5-dimethoxy- [ACD/Index Name]
N-[3-(3-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]methyl}phenoxy)propyl]-3,5-dimethoxybenzamid [German] [ACD/IUPAC Name]
N-[3-(3-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]methyl}phenoxy)propyl]-3,5-dimethoxybenzamide [ACD/IUPAC Name]
N-[3-(3-{[4-(2,3-Diméthylphényl)-1-pipérazinyl]méthyl}phénoxy)propyl]-3,5-diméthoxybenzamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 683.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 366.9±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 151.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 51.73
ACD/KOC (pH 5.5): 243.46
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 892.16
ACD/KOC (pH 7.4): 4198.58
Polar Surface Area: 63 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 453.4±3.0 cm3

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