ChemSpider 2D Image | 2-(3,5-Dimethylphenyl)-N,N-diethyl-3-(2-{[4-(3-pyridinyl)butyl]amino}ethyl)-1H-indole-5-carboxamide | C32H40N4O

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

  • Molecular FormulaC32H40N4O
  • Average mass496.686 Da
  • Monoisotopic mass496.320221 Da
  • ChemSpider ID23143324

More details:

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

1H-Indole-5-carboxamide, 2-(3,5-dimethylphenyl)-N,N-diethyl-3-[2-[[4-(3-pyridinyl)butyl]amino]ethyl]- [ACD/Index Name]
2-(3,5-Dimethylphenyl)-N,N-diethyl-3-(2-{[4-(3-pyridinyl)butyl]amino}ethyl)-1H-indol-5-carboxamid [German] [ACD/IUPAC Name]
2-(3,5-Dimethylphenyl)-N,N-diethyl-3-(2-{[4-(3-pyridinyl)butyl]amino}ethyl)-1H-indole-5-carboxamide [ACD/IUPAC Name]
2-(3,5-Diméthylphényl)-N,N-diéthyl-3-(2-{[4-(3-pyridinyl)butyl]amino}éthyl)-1H-indole-5-carboxamide [French] [ACD/IUPAC Name]
2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butylamino)-ethyl]-1H-indole-5-carboxylic acid diethylamide
CHEMBL417363
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL417363/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 720.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.3±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 154.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 6.68
ACD/KOC (pH 5.5): 15.24
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 29.02
ACD/KOC (pH 7.4): 66.19
Polar Surface Area: 61 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 449.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement