ChemSpider 2D Image | 4-{3-[Acetyl(2-aminoethyl)amino]-2-({3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}amino)-3-oxopropyl}phenyl acetate | C26H33N3O9S

4-{3-[Acetyl(2-aminoethyl)amino]-2-({3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}amino)-3-oxopropyl}phenyl acetate

  • Molecular FormulaC26H33N3O9S
  • Average mass563.620 Da
  • Monoisotopic mass563.193726 Da
  • ChemSpider ID121711717

More details:

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

4-{3-[Acetyl(2-aminoethyl)amino]-2-({3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}amino)-3-oxopropyl}phenyl acetate [ACD/IUPAC Name]
4-{3-[Acetyl(2-aminoethyl)amino]-2-({3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}amino)-3-oxopropyl}phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-{3-[acétyl(2-aminoéthyl)amino]-2-({3-[(3,4-diméthoxyphényl)sulfonyl]propanoyl}amino)-3-oxopropyl}phényle [French] [ACD/IUPAC Name]
Benzenepropanamide, N-acetyl-4-(acetyloxy)-N-(2-aminoethyl)-α-[[3-[(3,4-dimethoxyphenyl)sulfonyl]-1-oxopropyl]amino]- [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: 823.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 451.7±34.3 °C
Index of Refraction: 1.562
Molar Refractivity: 141.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 0.14
ACD/LogD (pH 5.5): -1.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.20
Polar Surface Area: 180 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 437.6±3.0 cm3

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