ChemSpider 2D Image | 1-(7-Azabicyclo[2.2.1]hept-7-yl)-2-[2-(3,5-dimethylphenyl)-3-(2-{[4-(4-pyridinyl)butyl]amino}ethyl)-1H-indol-5-yl]-2-methyl-1-butanone | C38H48N4O

1-(7-Azabicyclo[2.2.1]hept-7-yl)-2-[2-(3,5-dimethylphenyl)-3-(2-{[4-(4-pyridinyl)butyl]amino}ethyl)-1H-indol-5-yl]-2-methyl-1-butanone

  • Molecular FormulaC38H48N4O
  • Average mass576.814 Da
  • Monoisotopic mass576.382813 Da
  • ChemSpider ID23143030

More details:

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

1-(7-Azabicyclo[2.2.1]hept-7-yl)-2-[2-(3,5-dimethylphenyl)-3-(2-{[4-(4-pyridinyl)butyl]amino}ethyl)-1H-indol-5-yl]-2-methyl-1-butanon [German] [ACD/IUPAC Name]
1-(7-Azabicyclo[2.2.1]hept-7-yl)-2-[2-(3,5-dimethylphenyl)-3-(2-{[4-(4-pyridinyl)butyl]amino}ethyl)-1H-indol-5-yl]-2-methyl-1-butanone [ACD/IUPAC Name]
1-(7-Azabicyclo[2.2.1]hept-7-yl)-2-[2-(3,5-diméthylphényl)-3-(2-{[4-(4-pyridinyl)butyl]amino}éthyl)-1H-indol-5-yl]-2-méthyl-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-(7-azabicyclo[2.2.1]hept-7-yl)-2-[2-(3,5-dimethylphenyl)-3-[2-[[4-(4-pyridinyl)butyl]amino]ethyl]-1H-indol-5-yl]-2-methyl- [ACD/Index Name]
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-2-methyl-butan-1-one
CHEMBL300865
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL300865/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 788.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 430.9±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 177.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.62
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 59.32
ACD/KOC (pH 5.5): 61.29
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 446.05
ACD/KOC (pH 7.4): 460.86
Polar Surface Area: 61 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 510.5±3.0 cm3

Click to predict properties on the Chemicalize site


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