ChemSpider 2D Image | 2-(3,5-Dimethylphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-(2-{[4-(4-pyridinyl)butyl]amino}ethyl)-1H-indole-5-carboxamide | C32H40N4O2

2-(3,5-Dimethylphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-(2-{[4-(4-pyridinyl)butyl]amino}ethyl)-1H-indole-5-carboxamide

  • Molecular FormulaC32H40N4O2
  • Average mass512.686 Da
  • Monoisotopic mass512.315125 Da
  • ChemSpider ID23143327

More details:

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

1H-Indole-5-carboxamide, 2-(3,5-dimethylphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-[2-[[4-(4-pyridinyl)butyl]amino]ethyl]- [ACD/Index Name]
2-(3,5-Dimethylphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-(2-{[4-(4-pyridinyl)butyl]amino}ethyl)-1H-indol-5-carboxamid [German] [ACD/IUPAC Name]
2-(3,5-Dimethylphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-(2-{[4-(4-pyridinyl)butyl]amino}ethyl)-1H-indole-5-carboxamide [ACD/IUPAC Name]
2-(3,5-Diméthylphényl)-N-éthyl-N-(2-hydroxyéthyl)-3-(2-{[4-(4-pyridinyl)butyl]amino}éthyl)-1H-indole-5-carboxamide [French] [ACD/IUPAC Name]
2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indole-5-carboxylic acid ethyl-(2-hydroxy-ethyl)-amide
CHEMBL298497
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL298497/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 762.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 415.2±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 156.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.95
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 6.80
ACD/KOC (pH 7.4): 23.42
Polar Surface Area: 81 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 447.1±3.0 cm3

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