ChemSpider 2D Image | 3-[1-(4-Chlorobenzyl)-3-(3,3-dimethylbutanoyl)-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid | C36H37ClN2O4

3-[1-(4-Chlorobenzyl)-3-(3,3-dimethylbutanoyl)-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid

  • Molecular FormulaC36H37ClN2O4
  • Average mass597.143 Da
  • Monoisotopic mass596.244202 Da
  • ChemSpider ID9932941

More details:

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

136668-50-3 [RN]
1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-3-(3,3-dimethyl-1-oxobutyl)-α,α-dimethyl-5-(2-quinolinylmethoxy)- [ACD/Index Name]
3-[1-(4-Chlorobenzyl)-3-(3,3-dimethylbutanoyl)-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid [ACD/IUPAC Name]
3-[1-(4-chlorobenzyl)-3-(3,3-dimethylbutanoyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid
3-[5-(2-Chinolinylmethoxy)-1-(4-chlorbenzyl)-3-(3,3-dimethylbutanoyl)-1H-indol-2-yl]-2,2-dimethylpropansäure [German] [ACD/IUPAC Name]
Acide 3-[1-(4-chlorobenzyl)-3-(3,3-diméthylbutanoyl)-5-(2-quinoléinylméthoxy)-1H-indol-2-yl]-2,2-diméthylpropanoïque [French] [ACD/IUPAC Name]
1-((4-Chlorophenyl)methyl)-3-(3,3-dimethyl-1-oxobutyl)-α,α-dimethyl-5-(2-quinolinylmethoxy)-1H-indole-2-propanoic acid
1H-Indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-(3,3-dimethyl-1-oxobutyl)-α,α-dimethyl-5-(2-quinolinylmethoxy)-
3-[1-(4-Chloro-benzyl)-3-(3,3-dimethyl-butyryl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid
3-[1-[(4-chlorophenyl)methyl]-3-(3,3-dimethylbutanoyl)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

L 689037 [DBID]
L-689037 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 768.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 418.6±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 171.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 6.29
ACD/BCF (pH 5.5): 21894.32
ACD/KOC (pH 5.5): 24900.70
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 352.89
ACD/KOC (pH 7.4): 401.35
Polar Surface Area: 81 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 498.0±7.0 cm3

Click to predict properties on the Chemicalize site


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