ChemSpider 2D Image | 2-{Isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-{4-[(4-methoxybenzoyl)amino]phenoxy}benzoic acid | C32H36N2O6

2-{Isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-{4-[(4-methoxybenzoyl)amino]phenoxy}benzoic acid

  • Molecular FormulaC32H36N2O6
  • Average mass544.638 Da
  • Monoisotopic mass544.257324 Da
  • ChemSpider ID31139097

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-{Isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-{4-[(4-methoxybenzoyl)amino]phenoxy}benzoesäure [German] [ACD/IUPAC Name]
2-{Isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-{4-[(4-methoxybenzoyl)amino]phenoxy}benzoic acid [ACD/IUPAC Name]
5-{4-[(4-Methoxybenzoyl)amino]phenoxy}-2-{[(Trans-4-Methylcyclohexyl)carbonyl](Propan-2-Yl)amino}benzoic Acid
Acide 2-{isopropyl[(trans-4-méthylcyclohexyl)carbonyl]amino}-5-{4-[(4-méthoxybenzoyl)amino]phénoxy}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[4-[(4-methoxybenzoyl)amino]phenoxy]-2-[[(trans-4-methylcyclohexyl)carbonyl](1-methylethyl)amino]- [ACD/Index Name]
1ML

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

Density: 1.2±0.1 g/cm3
Boiling Point: 669.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.4±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 154.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 117.48
ACD/KOC (pH 5.5): 284.09
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 9.80
ACD/KOC (pH 7.4): 23.69
Polar Surface Area: 105 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 443.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement