ChemSpider 2D Image | Ecopladib | C39H33Cl3N2O5S

Ecopladib

  • Molecular FormulaC39H33Cl3N2O5S
  • Average mass748.114 Da
  • Monoisotopic mass746.117554 Da
  • ChemSpider ID176803

More details:

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

381683-92-7 [RN]
4-{2-[5-Chlor-2-(2-{[(3,4-dichlorbenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]ethoxy}benzoesäure [German] [ACD/IUPAC Name]
4-{2-[5-Chloro-2-(2-{[(3,4-dichlorobenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]ethoxy}benzoic acid [ACD/IUPAC Name]
Acide 4-{2-[5-chloro-2-(2-{[(3,4-dichlorobenzyl)sulfonyl]amino}éthyl)-1-(diphénylméthyl)-1H-indol-3-yl]éthoxy}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-[5-chloro-2-[2-[[[(3,4-dichlorophenyl)methyl]sulfonyl]amino]ethyl]-1-(diphenylmethyl)-1H-indol-3-yl]ethoxy]- [ACD/Index Name]
Ecopladib [USAN]
4-(2-(1-benzhydryl-5-chloro-2-(2-((3,4-dichlorophenyl)methylsulfonamido)ethyl)-1H-indol-3-yl)ethoxy)benzoic acid
4-[2-[1-benzhydryl-5-chloro-2-[2-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]indol-3-yl]ethoxy]benzoic acid
4-[2-[5-chloro-2-[2-[(3,4-dichlorobenzyl)sulfonylamino]ethyl]-1-[di(phenyl)methyl]indol-3-yl]ethoxy]benzoic acid
4-[2-[5-chloro-2-[2-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]-1-[di(phenyl)methyl]-3-indolyl]ethoxy]benzoic acid
More...

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

48TI67E57Q [DBID]
8419 [DBID]
PLA-725 [DBID]
UNII:48TI67E57Q [DBID]
UNII-48TI67E57Q [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 912.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.0±3.0 kJ/mol
Flash Point: 505.5±37.1 °C
Index of Refraction: 1.646
Molar Refractivity: 200.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 10.07
ACD/LogD (pH 5.5): 8.06
ACD/BCF (pH 5.5): 429249.22
ACD/KOC (pH 5.5): 184847.17
ACD/LogD (pH 7.4): 6.40
ACD/BCF (pH 7.4): 9470.31
ACD/KOC (pH 7.4): 4078.19
Polar Surface Area: 106 Å2
Polarizability: 79.5±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 552.5±7.0 cm3

Click to predict properties on the Chemicalize site


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