ChemSpider 2D Image | Ethyl 4-[({3-[(3-chlorobenzyl)sulfonyl]-1H-indol-1-yl}acetyl)amino]benzoate | C26H23ClN2O5S

Ethyl 4-[({3-[(3-chlorobenzyl)sulfonyl]-1H-indol-1-yl}acetyl)amino]benzoate

  • Molecular FormulaC26H23ClN2O5S
  • Average mass510.989 Da
  • Monoisotopic mass510.101624 Da
  • ChemSpider ID20364004

More details:

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

4-[(2-{3-[(3-Chlorobenzyl)sulfonyl]-1H-indol-1-yl}acétyl)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[3-[[(3-chlorophenyl)methyl]sulfonyl]-1H-indol-1-yl]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-[({3-[(3-chlorobenzyl)sulfonyl]-1H-indol-1-yl}acetyl)amino]benzoate [ACD/IUPAC Name]
Ethyl-4-[({3-[(3-chlorbenzyl)sulfonyl]-1H-indol-1-yl}acetyl)amino]benzoat [German] [ACD/IUPAC Name]
893283-88-0 [RN]
ethyl 4-(2-(3-((3-chlorobenzyl)sulfonyl)-1H-indol-1-yl)acetamido)benzoate
ETHYL 4-(2-{3-[(3-CHLOROPHENYL)METHANESULFONYL]-1H-INDOL-1-YL}ACETAMIDO)BENZOATE
ETHYL 4-(2-{3-[(3-CHLOROPHENYL)METHANESULFONYL]INDOL-1-YL}ACETAMIDO)BENZOATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 784.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 427.9±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 136.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2279.31
ACD/KOC (pH 5.5): 8812.77
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2279.31
ACD/KOC (pH 7.4): 8812.76
Polar Surface Area: 103 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 381.9±7.0 cm3

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