ChemSpider 2D Image | 3-{[5-(Benzyloxy)-1-{2-[methyl(2-phenylethyl)amino]-2-oxoethyl}-1H-indol-3-yl]carbonyl}benzoic acid | C34H30N2O5

3-{[5-(Benzyloxy)-1-{2-[methyl(2-phenylethyl)amino]-2-oxoethyl}-1H-indol-3-yl]carbonyl}benzoic acid

  • Molecular FormulaC34H30N2O5
  • Average mass546.612 Da
  • Monoisotopic mass546.215454 Da
  • ChemSpider ID8991701

More details:

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

3-{[5-(Benzyloxy)-1-{2-[methyl(2-phenylethyl)amino]-2-oxoethyl}-1H-indol-3-yl]carbonyl}benzoesäure [German] [ACD/IUPAC Name]
3-{[5-(Benzyloxy)-1-{2-[methyl(2-phenylethyl)amino]-2-oxoethyl}-1H-indol-3-yl]carbonyl}benzoic acid [ACD/IUPAC Name]
Acide 3-{[5-(benzyloxy)-1-{2-[méthyl(2-phényléthyl)amino]-2-oxoéthyl}-1H-indol-3-yl]carbonyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-(phenylmethoxy)-1H-indol-3-yl]carbonyl]- [ACD/Index Name]
3-{5-Benzyloxy-1-[(methyl-phenethyl-carbamoyl)-methyl]-1H-indole-3-carbonyl}-benzoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL340295/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 792.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 432.8±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 159.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 612.69
ACD/KOC (pH 5.5): 1126.20
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 29.66
ACD/KOC (pH 7.4): 54.52
Polar Surface Area: 89 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 452.8±7.0 cm3

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