ChemSpider 2D Image | N-[(1S)-1-(3-Isopropylphenyl)ethyl]-2,3-dimethyl-1-{[2'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-biphenylyl]methyl}-1H-indole-5-carboxamide | C37H36N4O3

N-[(1S)-1-(3-Isopropylphenyl)ethyl]-2,3-dimethyl-1-{[2'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-biphenylyl]methyl}-1H-indole-5-carboxamide

  • Molecular FormulaC37H36N4O3
  • Average mass584.707 Da
  • Monoisotopic mass584.278748 Da
  • ChemSpider ID58891319

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole-5-carboxamide, 1-[[2'-(4,5-dihydro-5-oxo-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-4-yl]methyl]-2,3-dimethyl-N-[(1S)-1-[3-(1-methylethyl)phenyl]ethyl]- [ACD/Index Name]
N-[(1S)-1-(3-Isopropylphenyl)ethyl]-2,3-dimethyl-1-{[2'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-biphenylyl]methyl}-1H-indol-5-carboxamid [German] [ACD/IUPAC Name]
N-[(1S)-1-(3-Isopropylphenyl)ethyl]-2,3-dimethyl-1-{[2'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-biphenylyl]methyl}-1H-indole-5-carboxamide [ACD/IUPAC Name]
N-[(1S)-1-(3-Isopropylphényl)éthyl]-2,3-diméthyl-1-{[2'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-biphénylyl]méthyl}-1H-indole-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 173.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 65008.71
ACD/KOC (pH 5.5): 85654.60
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 3209.33
ACD/KOC (pH 7.4): 4228.57
Polar Surface Area: 85 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 477.6±7.0 cm3

Click to predict properties on the Chemicalize site


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