ChemSpider 2D Image | (5-{[1-({1-[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl}amino)-1-oxo-3-phenyl-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid | C31H27N5O7

(5-{[1-({1-[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl}amino)-1-oxo-3-phenyl-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid

  • Molecular FormulaC31H27N5O7
  • Average mass581.575 Da
  • Monoisotopic mass581.191040 Da
  • ChemSpider ID121095725

More details:

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

(5-{[1-({1-[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl}amino)-1-oxo-3-phenyl-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid [ACD/IUPAC Name]
(5-{[1-({1-[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl}amino)-1-oxo-3-phenyl-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)essigsäure [German] [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, 1,3-dihydro-5-[[[2-[[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-1,3-dioxo- [ACD/Index Name]
Acide (5-{[1-({1-[5-(3-méthylphényl)-1,3,4-oxadiazol-2-yl]éthyl}amino)-1-oxo-3-phényl-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.638
Molar Refractivity: 151.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.28
ACD/LogD (pH 7.4): -1.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 65.8±3.0 dyne/cm
Molar Volume: 420.4±3.0 cm3

Click to predict properties on the Chemicalize site


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