ChemSpider 2D Image | 4-{2-[(4-Isobutoxybenzoyl)amino]-3-({2-[(4-methoxyphenyl)sulfonyl]-2-phenylethyl}amino)-3-oxopropyl}phenyl acetate | C37H40N2O8S

4-{2-[(4-Isobutoxybenzoyl)amino]-3-({2-[(4-methoxyphenyl)sulfonyl]-2-phenylethyl}amino)-3-oxopropyl}phenyl acetate

  • Molecular FormulaC37H40N2O8S
  • Average mass672.787 Da
  • Monoisotopic mass672.250549 Da
  • ChemSpider ID121080382

More details:

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

4-{2-[(4-Isobutoxybenzoyl)amino]-3-({2-[(4-methoxyphenyl)sulfonyl]-2-phenylethyl}amino)-3-oxopropyl}phenyl acetate [ACD/IUPAC Name]
4-{2-[(4-Isobutoxybenzoyl)amino]-3-({2-[(4-methoxyphenyl)sulfonyl]-2-phenylethyl}amino)-3-oxopropyl}phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-{2-[(4-isobutoxybenzoyl)amino]-3-({2-[(4-méthoxyphényl)sulfonyl]-2-phényléthyl}amino)-3-oxopropyl}phényle [French] [ACD/IUPAC Name]
Benzenepropanamide, 4-(acetyloxy)-N-[2-[(4-methoxyphenyl)sulfonyl]-2-phenylethyl]-α-[[4-(2-methylpropoxy)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: 913.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.8±3.0 kJ/mol
Flash Point: 506.1±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 182.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5047.64
ACD/KOC (pH 5.5): 15569.10
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5047.63
ACD/KOC (pH 7.4): 15569.05
Polar Surface Area: 145 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 546.0±3.0 cm3

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