ChemSpider 2D Image | (2S)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-1-[N-(pyridin-3-ylcarbonyl)-L-valyl]-2,3-dihydro-1H-indole-2-carboxamide | C31H38N6O5

(2S)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-1-[N-(pyridin-3-ylcarbonyl)-L-valyl]-2,3-dihydro-1H-indole-2-carboxamide

  • Molecular FormulaC31H38N6O5
  • Average mass574.671 Da
  • Monoisotopic mass574.290344 Da
  • ChemSpider ID8070048

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-1-[N-(pyridin-3-ylcarbonyl)-L-valyl]-2,3-dihydro-1H-indole-2-carboxamide
(2S)-N-{(2S)-3-Methyl-1-[5-(2-methyl-2-propanyl)-1,3,4-oxadiazol-2-yl]-1-oxo-2-butanyl}-1-{(2S)-3-methyl-2-[(3-pyridinylcarbonyl)amino]butanoyl}-2-indolincarboxamid [German] [ACD/IUPAC Name]
(2S)-N-{(2S)-3-Methyl-1-[5-(2-methyl-2-propanyl)-1,3,4-oxadiazol-2-yl]-1-oxo-2-butanyl}-1-{(2S)-3-methyl-2-[(3-pyridinylcarbonyl)amino]butanoyl}-2-indolinecarboxamide [ACD/IUPAC Name]
(2S)-N-{(2S)-3-Méthyl-1-[5-(2-méthyl-2-propanyl)-1,3,4-oxadiazol-2-yl]-1-oxo-2-butanyl}-1-{(2S)-3-méthyl-2-[(3-pyridinylcarbonyl)amino]butanoyl}-2-indolinecarboxamide [French] [ACD/IUPAC Name]
1H-indole-2-carboxamide, N-[(1S)-1-[[5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl]carbonyl]-2-methylpropyl]-2,3-dihydro-1-[(2S)-3-methyl-1-oxo-2-[(3-pyridinylcarbonyl)amino]butyl]-, (2S)- [ACD/Index Name]
1-{3-Methyl-2-[(pyridine-3-carbonyl)-amino]-butyryl}-2,3-dihydro-1H-indole-2-carboxylic acid [1-(5-tert-butyl-[1,3,4]oxadiazole-2-carbonyl)-2-methyl-propyl]-amide
CHEMBL23104

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: 1.571
Molar Refractivity: 154.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.45
ACD/KOC (pH 5.5): 464.81
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.65
ACD/KOC (pH 7.4): 467.20
Polar Surface Area: 147 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 471.3±3.0 cm3

Click to predict properties on the Chemicalize site


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