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

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

  • Molecular FormulaC38H48N4O
  • Average mass576.814 Da
  • Monoisotopic mass576.382813 Da
  • ChemSpider ID23143194

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-{methyl[4-(4-pyridinyl)butyl]amino}ethyl)-1H-indol-5-yl]-2-methyl-1-propanon [German] [ACD/IUPAC Name]
1-(7-Azabicyclo[2.2.1]hept-7-yl)-2-[2-(3,5-dimethylphenyl)-3-(2-{methyl[4-(4-pyridinyl)butyl]amino}ethyl)-1H-indol-5-yl]-2-methyl-1-propanone [ACD/IUPAC Name]
1-(7-Azabicyclo[2.2.1]hept-7-yl)-2-[2-(3,5-diméthylphényl)-3-(2-{méthyl[4-(4-pyridinyl)butyl]amino}éthyl)-1H-indol-5-yl]-2-méthyl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(7-azabicyclo[2.2.1]hept-7-yl)-2-[2-(3,5-dimethylphenyl)-3-[2-[methyl[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-[methyl-(4-pyridin-4-yl-butyl)-amino]-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one
CHEMBL296442
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL296442/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 777.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 424.1±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 177.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.98
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 80.36
ACD/KOC (pH 5.5): 78.28
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 3246.13
ACD/KOC (pH 7.4): 3161.76
Polar Surface Area: 52 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 508.9±3.0 cm3

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