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

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

  • Molecular FormulaC36H46N4O
  • Average mass550.777 Da
  • Monoisotopic mass550.367188 Da
  • ChemSpider ID23143002

More details:

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

1-(3,3-Dimethyl-1-azetidinyl)-2-[2-(3,5-dimethylphenyl)-3-(2-{[4-(3-pyridinyl)butyl]amino}ethyl)-1H-indol-5-yl]-2-methyl-1-propanon [German] [ACD/IUPAC Name]
1-(3,3-Dimethyl-1-azetidinyl)-2-[2-(3,5-dimethylphenyl)-3-(2-{[4-(3-pyridinyl)butyl]amino}ethyl)-1H-indol-5-yl]-2-methyl-1-propanone [ACD/IUPAC Name]
1-(3,3-Diméthyl-1-azétidinyl)-2-[2-(3,5-diméthylphényl)-3-(2-{[4-(3-pyridinyl)butyl]amino}éthyl)-1H-indol-5-yl]-2-méthyl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(3,3-dimethyl-1-azetidinyl)-2-[2-(3,5-dimethylphenyl)-3-[2-[[4-(3-pyridinyl)butyl]amino]ethyl]-1H-indol-5-yl]-2-methyl- [ACD/Index Name]
1-(3,3-Dimethyl-azetidin-1-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butylamino)-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
CHEMBL417720
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL417720/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 753.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 409.3±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 170.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 40.35
ACD/KOC (pH 5.5): 55.18
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 167.24
ACD/KOC (pH 7.4): 228.71
Polar Surface Area: 61 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 498.1±3.0 cm3

Click to predict properties on the Chemicalize site


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