ChemSpider 2D Image | 4-{2-[(3-Methyl-4-nitrobenzoyl)amino]-3-({2-[(4-methylphenyl)sulfonyl]-2-(3-pyridinyl)ethyl}amino)-3-oxopropyl}phenyl acetate | C33H32N4O8S

4-{2-[(3-Methyl-4-nitrobenzoyl)amino]-3-({2-[(4-methylphenyl)sulfonyl]-2-(3-pyridinyl)ethyl}amino)-3-oxopropyl}phenyl acetate

  • Molecular FormulaC33H32N4O8S
  • Average mass644.694 Da
  • Monoisotopic mass644.194092 Da
  • ChemSpider ID121128894

More details:

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

4-{2-[(3-Methyl-4-nitrobenzoyl)amino]-3-({2-[(4-methylphenyl)sulfonyl]-2-(3-pyridinyl)ethyl}amino)-3-oxopropyl}phenyl acetate [ACD/IUPAC Name]
4-{2-[(3-Methyl-4-nitrobenzoyl)amino]-3-({2-[(4-methylphenyl)sulfonyl]-2-(3-pyridinyl)ethyl}amino)-3-oxopropyl}phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-{2-[(3-méthyl-4-nitrobenzoyl)amino]-3-({2-[(4-méthylphényl)sulfonyl]-2-(3-pyridinyl)éthyl}amino)-3-oxopropyl}phényle [French] [ACD/IUPAC Name]
Benzenepropanamide, 4-(acetyloxy)-α-[(3-methyl-4-nitrobenzoyl)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: 924.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.5±3.0 kJ/mol
Flash Point: 512.8±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 169.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 339.21
ACD/KOC (pH 5.5): 2248.95
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 341.71
ACD/KOC (pH 7.4): 2265.55
Polar Surface Area: 186 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 485.7±3.0 cm3

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