ChemSpider 2D Image | 4-{3-[(2-{[(5-Chloro-2-thienyl)sulfonyl](ethyl)amino}ethyl)amino]-2-[(3,4-dimethylbenzoyl)amino]-3-oxopropyl}phenyl acetate | C28H32ClN3O6S2

4-{3-[(2-{[(5-Chloro-2-thienyl)sulfonyl](ethyl)amino}ethyl)amino]-2-[(3,4-dimethylbenzoyl)amino]-3-oxopropyl}phenyl acetate

  • Molecular FormulaC28H32ClN3O6S2
  • Average mass606.153 Da
  • Monoisotopic mass605.142090 Da
  • ChemSpider ID121126273

More details:

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

4-{3-[(2-{[(5-Chlor-2-thienyl)sulfonyl](ethyl)amino}ethyl)amino]-2-[(3,4-dimethylbenzoyl)amino]-3-oxopropyl}phenyl-acetat [German] [ACD/IUPAC Name]
4-{3-[(2-{[(5-Chloro-2-thienyl)sulfonyl](ethyl)amino}ethyl)amino]-2-[(3,4-dimethylbenzoyl)amino]-3-oxopropyl}phenyl acetate [ACD/IUPAC Name]
Acétate de 4-{3-[(2-{[(5-chloro-2-thiényl)sulfonyl](éthyl)amino}éthyl)amino]-2-[(3,4-diméthylbenzoyl)amino]-3-oxopropyl}phényle [French] [ACD/IUPAC Name]
Benzenepropanamide, 4-(acetyloxy)-N-[2-[[(5-chloro-2-thienyl)sulfonyl]ethylamino]ethyl]-α-[(3,4-dimethylbenzoyl)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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.596
Molar Refractivity: 156.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2208.64
ACD/KOC (pH 5.5): 8616.31
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2208.64
ACD/KOC (pH 7.4): 8616.30
Polar Surface Area: 159 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 460.9±3.0 cm3

Click to predict properties on the Chemicalize site


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