ChemSpider 2D Image | 4-(3-[(4-Chloro-2,5-dimethoxyphenyl)amino]-2-{[3-(1,1-dioxidotetrahydro-3-thiophenyl)propanoyl]amino}-3-oxopropyl)phenyl acetate | C26H31ClN2O8S

4-(3-[(4-Chloro-2,5-dimethoxyphenyl)amino]-2-{[3-(1,1-dioxidotetrahydro-3-thiophenyl)propanoyl]amino}-3-oxopropyl)phenyl acetate

  • Molecular FormulaC26H31ClN2O8S
  • Average mass567.051 Da
  • Monoisotopic mass566.148987 Da
  • ChemSpider ID120815804

More details:

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

3-Thiophenepropanamide, N-[1-[[4-(acetyloxy)phenyl]methyl]-2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl]tetrahydro-, 1,1-dioxide [ACD/Index Name]
4-(3-[(4-Chlor-2,5-dimethoxyphenyl)amino]-2-{[3-(1,1-dioxidotetrahydro-3-thiophenyl)propanoyl]amino}-3-oxopropyl)phenyl-acetat [German] [ACD/IUPAC Name]
4-(3-[(4-Chloro-2,5-dimethoxyphenyl)amino]-2-{[3-(1,1-dioxidotetrahydro-3-thiophenyl)propanoyl]amino}-3-oxopropyl)phenyl acetate [ACD/IUPAC Name]
Acétate de 4-(3-[(4-chloro-2,5-diméthoxyphényl)amino]-2-{[3-(1,1-dioxydotétrahydro-3-thiophényl)propanoyl]amino}-3-oxopropyl)phényle [French] [ACD/IUPAC 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: 839.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.0±3.0 kJ/mol
Flash Point: 461.4±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 140.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 61.40
ACD/KOC (pH 5.5): 663.09
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 61.39
ACD/KOC (pH 7.4): 663.04
Polar Surface Area: 145 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 424.5±3.0 cm3

Click to predict properties on the Chemicalize site


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