ChemSpider 2D Image | N-({3-[4-({[3-(Trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1,2,4-oxadiazol-5-yl}carbonyl)-L-valine | C22H20F3N5O5

N-({3-[4-({[3-(Trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1,2,4-oxadiazol-5-yl}carbonyl)-L-valine

  • Molecular FormulaC22H20F3N5O5
  • Average mass491.420 Da
  • Monoisotopic mass491.141663 Da
  • ChemSpider ID28518141

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Valine, N-[[3-[4-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]carbonyl]- [ACD/Index Name]
N-({3-[4-({[3-(Trifluormethyl)phenyl]carbamoyl}amino)phenyl]-1,2,4-oxadiazol-5-yl}carbonyl)-L-valin [German] [ACD/IUPAC Name]
N-({3-[4-({[3-(Trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1,2,4-oxadiazol-5-yl}carbonyl)-L-valine [ACD/IUPAC Name]
N-({3-[4-({[3-(Trifluorométhyl)phényl]carbamoyl}amino)phényl]-1,2,4-oxadiazol-5-yl}carbonyl)-L-valine [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: 1.604
Molar Refractivity: 116.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.50
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 339.6±3.0 cm3

Click to predict properties on the Chemicalize site


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