ChemSpider 2D Image | 12-({[3-(Trifluoromethyl)phenyl]carbamoyl}amino)abieta-8,11,13-trien-18-oic acid | C28H33F3N2O3

12-({[3-(Trifluoromethyl)phenyl]carbamoyl}amino)abieta-8,11,13-trien-18-oic acid

  • Molecular FormulaC28H33F3N2O3
  • Average mass502.568 Da
  • Monoisotopic mass502.244324 Da
  • ChemSpider ID24719150

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

12-({[3-(Trifluormethyl)phenyl]carbamoyl}amino)abieta-8,11,13-trien-18-säure [German] [ACD/IUPAC Name]
12-({[3-(Trifluoromethyl)phenyl]carbamoyl}amino)abieta-8,11,13-trien-18-oic acid [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-, (1R,4aS,10aR)- [ACD/Index Name]
Acide 12-({[3-(trifluorométhyl)phényl]carbamoyl}amino)abiéta-8,11,13-trién-18-oïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 519.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 268.2±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 132.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.34
ACD/LogD (pH 5.5): 6.74
ACD/BCF (pH 5.5): 47391.32
ACD/KOC (pH 5.5): 43031.09
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 747.45
ACD/KOC (pH 7.4): 678.68
Polar Surface Area: 78 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 397.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement