ChemSpider 2D Image | 4-{3-[5-Chloro-2-(2-{[(2,6-dimethylbenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]propyl}benzoic acid | C42H41ClN2O4S

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

  • Molecular FormulaC42H41ClN2O4S
  • Average mass705.304 Da
  • Monoisotopic mass704.247559 Da
  • ChemSpider ID8465771

More details:

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

4-{3-[5-Chlor-2-(2-{[(2,6-dimethylbenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]propyl}benzoesäure [German] [ACD/IUPAC Name]
4-{3-[5-Chloro-2-(2-{[(2,6-dimethylbenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]propyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{3-[5-chloro-2-(2-{[(2,6-diméthylbenzyl)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-dimethylphenyl)methyl]sulfonyl]amino]ethyl]-1-(diphenylmethyl)-1H-indol-3-yl]propyl]- [ACD/Index Name]
4-(3-(1-benzhydryl-5-chloro-2-(2-((2,6-dimethylphenyl)methylsulfonamido)ethyl)-1H-indol-3-yl)propyl)benzoic acid
4-[3-[1-Benzhydryl-5-chloro-2-[2-[(2,6-dimethylphenyl)methylsulfonylamino]ethyl]indol-3-yl]propyl]benzoic acid
CHEMBL404529
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL404529/
WAY-196025

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

Density: 1.2±0.1 g/cm3
Boiling Point: 876.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.4±3.0 kJ/mol
Flash Point: 483.7±37.1 °C
Index of Refraction: 1.627
Molar Refractivity: 203.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 10.85
ACD/LogD (pH 5.5): 8.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 450648.25
ACD/LogD (pH 7.4): 7.24
ACD/BCF (pH 7.4): 39516.88
ACD/KOC (pH 7.4): 10858.79
Polar Surface Area: 97 Å2
Polarizability: 80.7±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 573.9±7.0 cm3

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