ChemSpider 2D Image | 2-[2-(3,5-Dimethylphenyl)-3-(2-{[4-(4-pyridinyl)butyl]amino}ethyl)-1H-indol-5-yl]-2-methyl-1-(1-piperidinyl)-1-propanone | C36H46N4O

2-[2-(3,5-Dimethylphenyl)-3-(2-{[4-(4-pyridinyl)butyl]amino}ethyl)-1H-indol-5-yl]-2-methyl-1-(1-piperidinyl)-1-propanone

  • Molecular FormulaC36H46N4O
  • Average mass550.777 Da
  • Monoisotopic mass550.367188 Da
  • ChemSpider ID23143556

More details:

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

1-Propanone, 2-[2-(3,5-dimethylphenyl)-3-[2-[[4-(4-pyridinyl)butyl]amino]ethyl]-1H-indol-5-yl]-2-methyl-1-(1-piperidinyl)- [ACD/Index Name]
2-[2-(3,5-Dimethylphenyl)-3-(2-{[4-(4-pyridinyl)butyl]amino}ethyl)-1H-indol-5-yl]-2-methyl-1-(1-piperidinyl)-1-propanon [German] [ACD/IUPAC Name]
2-[2-(3,5-Dimethylphenyl)-3-(2-{[4-(4-pyridinyl)butyl]amino}ethyl)-1H-indol-5-yl]-2-methyl-1-(1-piperidinyl)-1-propanone [ACD/IUPAC Name]
2-[2-(3,5-Diméthylphényl)-3-(2-{[4-(4-pyridinyl)butyl]amino}éthyl)-1H-indol-5-yl]-2-méthyl-1-(1-pipéridinyl)-1-propanone [French] [ACD/IUPAC Name]
2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-2-methyl-1-piperidin-1-yl-propan-1-one
CHEMBL301802
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL301802/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 770.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 420.0±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 169.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 36.56
ACD/KOC (pH 5.5): 43.34
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 272.48
ACD/KOC (pH 7.4): 323.04
Polar Surface Area: 61 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 495.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement