ChemSpider 2D Image | 4-{2-[(3,5-Dimethoxybenzoyl)amino]-3-({2-[(4-methylphenyl)sulfonyl]-2-(3-pyridinyl)ethyl}amino)-3-oxopropyl}phenyl acetate | C34H35N3O8S

4-{2-[(3,5-Dimethoxybenzoyl)amino]-3-({2-[(4-methylphenyl)sulfonyl]-2-(3-pyridinyl)ethyl}amino)-3-oxopropyl}phenyl acetate

  • Molecular FormulaC34H35N3O8S
  • Average mass645.722 Da
  • Monoisotopic mass645.214478 Da
  • ChemSpider ID121010581

More details:

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

4-{2-[(3,5-Dimethoxybenzoyl)amino]-3-({2-[(4-methylphenyl)sulfonyl]-2-(3-pyridinyl)ethyl}amino)-3-oxopropyl}phenyl acetate [ACD/IUPAC Name]
4-{2-[(3,5-Dimethoxybenzoyl)amino]-3-({2-[(4-methylphenyl)sulfonyl]-2-(3-pyridinyl)ethyl}amino)-3-oxopropyl}phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-{2-[(3,5-diméthoxybenzoyl)amino]-3-({2-[(4-méthylphényl)sulfonyl]-2-(3-pyridinyl)éthyl}amino)-3-oxopropyl}phényle [French] [ACD/IUPAC Name]
Benzenepropanamide, 4-(acetyloxy)-α-[(3,5-dimethoxybenzoyl)amino]-N-[2-[(4-methylphenyl)sulfonyl]-2-(3-pyridinyl)ethyl]- [ACD/Index 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: 900.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±3.0 kJ/mol
Flash Point: 498.7±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 171.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 149.71
ACD/KOC (pH 5.5): 1252.34
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 150.84
ACD/KOC (pH 7.4): 1261.73
Polar Surface Area: 158 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 505.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement