ChemSpider 2D Image | N-[2-({4-(Dimethylamino)-2-[(4-isopropylbenzyl)amino]cyclohexyl}amino)-2-oxoethyl]-3-(trifluoromethyl)benzamide | C28H37F3N4O2

N-[2-({4-(Dimethylamino)-2-[(4-isopropylbenzyl)amino]cyclohexyl}amino)-2-oxoethyl]-3-(trifluoromethyl)benzamide

  • Molecular FormulaC28H37F3N4O2
  • Average mass518.614 Da
  • Monoisotopic mass518.286865 Da
  • ChemSpider ID24717477

More details:

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

Benzamide, N-[2-[[4-(dimethylamino)-2-[[[4-(1-methylethyl)phenyl]methyl]amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-[2-({4-(Dimethylamino)-2-[(4-isopropylbenzyl)amino]cyclohexyl}amino)-2-oxoethyl]-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[2-({4-(Dimethylamino)-2-[(4-isopropylbenzyl)amino]cyclohexyl}amino)-2-oxoethyl]-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-[2-({4-(Diméthylamino)-2-[(4-isopropylbenzyl)amino]cyclohexyl}amino)-2-oxoéthyl]-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC 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: 661.6±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: 353.9±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 2.86
ACD/KOC (pH 7.4): 15.14
Polar Surface Area: 73 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 430.9±5.0 cm3

Click to predict properties on the Chemicalize site


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