ChemSpider 2D Image | 4-{3-[5-Chloro-2-(2-{[(2,6-dichlorobenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]propyl}benzoic acid | C40H35Cl3N2O4S

4-{3-[5-Chloro-2-(2-{[(2,6-dichlorobenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]propyl}benzoic acid

  • Molecular FormulaC40H35Cl3N2O4S
  • Average mass746.141 Da
  • Monoisotopic mass744.138306 Da
  • ChemSpider ID13092141

More details:

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

4-{3-[5-Chlor-2-(2-{[(2,6-dichlorbenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]propyl}benzoesäure [German] [ACD/IUPAC Name]
4-{3-[5-Chloro-2-(2-{[(2,6-dichlorobenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]propyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{3-[5-chloro-2-(2-{[(2,6-dichlorobenzyl)sulfonyl]amino}éthyl)-1-(diphénylméthyl)-1H-indol-3-yl]propyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-[5-chloro-2-[2-[[[(2,6-dichlorophenyl)methyl]sulfonyl]amino]ethyl]-1-(diphenylmethyl)-1H-indol-3-yl]propyl]- [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: 889.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.5±3.0 kJ/mol
Flash Point: 492.0±37.1 °C
Index of Refraction: 1.645
Molar Refractivity: 203.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 11.13
ACD/LogD (pH 5.5): 9.16
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 664056.56
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 67868.97
ACD/KOC (pH 7.4): 15988.43
Polar Surface Area: 97 Å2
Polarizability: 80.8±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 562.1±7.0 cm3

Click to predict properties on the Chemicalize site


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