ChemSpider 2D Image | N-[4-(4-Morpholinylcarbonyl)benzoyl]-L-valyl-N-{(2S)-3-methyl-1-[5-(3-methylbenzyl)-1,2,4-oxadiazol-3-yl]-1-oxo-2-butanyl}-L-prolinamide | C37H46N6O7

N-[4-(4-Morpholinylcarbonyl)benzoyl]-L-valyl-N-{(2S)-3-methyl-1-[5-(3-methylbenzyl)-1,2,4-oxadiazol-3-yl]-1-oxo-2-butanyl}-L-prolinamide

  • Molecular FormulaC37H46N6O7
  • Average mass686.797 Da
  • Monoisotopic mass686.342773 Da
  • ChemSpider ID8137180

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Prolinamide, N-[4-(4-morpholinylcarbonyl)benzoyl]-L-valyl-N-[(1S)-2-methyl-1-[[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]carbonyl]propyl]- [ACD/Index Name]
N-[4-(4-Morpholinylcarbonyl)benzoyl]-L-valyl-N-{(2S)-3-methyl-1-[5-(3-methylbenzyl)-1,2,4-oxadiazol-3-yl]-1-oxo-2-butanyl}-L-prolinamid [German] [ACD/IUPAC Name]
N-[4-(4-Morpholinylcarbonyl)benzoyl]-L-valyl-N-{(2S)-3-methyl-1-[5-(3-methylbenzyl)-1,2,4-oxadiazol-3-yl]-1-oxo-2-butanyl}-L-prolinamide [ACD/IUPAC Name]
N-[4-(4-Morpholinylcarbonyl)benzoyl]-L-valyl-N-{(2S)-3-méthyl-1-[5-(3-méthylbenzyl)-1,2,4-oxadiazol-3-yl]-1-oxo-2-butanyl}-L-prolinamide [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: 1.580
Molar Refractivity: 184.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 36.20
ACD/KOC (pH 5.5): 454.28
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 36.20
ACD/KOC (pH 7.4): 454.27
Polar Surface Area: 164 Å2
Polarizability: 73.0±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 553.4±3.0 cm3

Click to predict properties on the Chemicalize site


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