ChemSpider 2D Image | N-(3-{5-[5-(1H-Indol-4-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}benzyl)-L-alaninamide | C24H22F3N7O2

N-(3-{5-[5-(1H-Indol-4-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}benzyl)-L-alaninamide

  • Molecular FormulaC24H22F3N7O2
  • Average mass497.472 Da
  • Monoisotopic mass497.178711 Da
  • ChemSpider ID26325966
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

N-(3-{5-[5-(1H-Indol-4-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}benzyl)-L-alaninamide [ACD/IUPAC Name]
N-{3-[(5Z)-5-[5-(1H-Indol-4-yl)-1,3,4-oxadiazol-2(3H)-yliden]-3-(trifluormethyl)-2,5-dihydro-1H-pyrazol-1-yl]benzyl}-L-alaninamid [German] [ACD/IUPAC Name]
N-{3-[(5Z)-5-[5-(1H-Indol-4-yl)-1,3,4-oxadiazol-2(3H)-ylidene]-3-(trifluoromethyl)-2,5-dihydro-1H-pyrazol-1-yl]benzyl}-L-alaninamide [ACD/IUPAC Name]
N-{3-[(5Z)-5-[5-(1H-Indol-4-yl)-1,3,4-oxadiazol-2(3H)-ylidène]-3-(trifluorométhyl)-2,5-dihydro-1H-pyrazol-1-yl]benzyl}-L-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-amino-N-[[3-[(5Z)-2,5-dihydro-5-[5-(1H-indol-4-yl)-1,3,4-oxadiazol-2(3H)-ylidene]-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl]methyl]-, (2S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.690
Molar Refractivity: 123.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.64
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 2.90
ACD/KOC (pH 7.4): 41.51
Polar Surface Area: 120 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 323.9±7.0 cm3

Click to predict properties on the Chemicalize site






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