ChemSpider 2D Image | 4-(3-{[2-(2-Chlorophenyl)-2-(dimethylamino)ethyl]amino}-2-{[4-(hexyloxy)benzoyl]amino}-3-oxopropyl)phenyl acetate | C34H42ClN3O5

4-(3-{[2-(2-Chlorophenyl)-2-(dimethylamino)ethyl]amino}-2-{[4-(hexyloxy)benzoyl]amino}-3-oxopropyl)phenyl acetate

  • Molecular FormulaC34H42ClN3O5
  • Average mass608.167 Da
  • Monoisotopic mass607.281311 Da
  • ChemSpider ID121096083

More details:

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

4-(3-{[2-(2-Chlorophenyl)-2-(dimethylamino)ethyl]amino}-2-{[4-(hexyloxy)benzoyl]amino}-3-oxopropyl)phenyl acetate [ACD/IUPAC Name]
4-(3-{[2-(2-Chlorphenyl)-2-(dimethylamino)ethyl]amino}-2-{[4-(hexyloxy)benzoyl]amino}-3-oxopropyl)phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-(3-{[2-(2-chlorophényl)-2-(diméthylamino)éthyl]amino}-2-{[4-(hexyloxy)benzoyl]amino}-3-oxopropyl)phényle [French] [ACD/IUPAC Name]
Benzenepropanamide, 4-(acetyloxy)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-α-[[4-(hexyloxy)benzoyl]amino]- [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: 780.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 426.1±32.9 °C
Index of Refraction: 1.567
Molar Refractivity: 170.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 889.14
ACD/KOC (pH 5.5): 1646.22
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 21277.07
ACD/KOC (pH 7.4): 39394.11
Polar Surface Area: 97 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 520.7±3.0 cm3

Click to predict properties on the Chemicalize site


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