ChemSpider 2D Image | N-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(2E)-3-phenyl-2-propenoyl]-D-alaninamide | C20H17ClN4O2S

N-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-N2-[(2E)-3-phenyl-2-propenoyl]-D-alaninamide

  • Molecular FormulaC20H17ClN4O2S
  • Average mass412.893 Da
  • Monoisotopic mass412.076080 Da
  • ChemSpider ID23342397

  • 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

2-Propenamide, N-[(1R)-2-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-methyl-2-oxoethyl]-3-phenyl-, (2E)- [ACD/Index Name]
N-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-N2-[(2E)-3-phenyl-2-propenoyl]-D-alaninamide [ACD/IUPAC Name]
N-[5-(4-Chlorophényl)-1,3,4-thiadiazol-2-yl]-N2-[(2E)-3-phényl-2-propenoyl]-D-alaninamide [French] [ACD/IUPAC Name]
N-[5-(4-Chlorphenyl)-1,3,4-thiadiazol-2-yl]-N2-[(2E)-3-phenyl-2-propenoyl]-D-alaninamid [German] [ACD/IUPAC Name]
(2R)-N-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(cinnamoyl)amino]- propanamide
CHEMBL523056
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N2-[(2E)-3-phenylprop-2-enoyl]-D-alaninamide

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: 1.675
Molar Refractivity: 112.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 265.01
ACD/KOC (pH 5.5): 1888.58
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 258.28
ACD/KOC (pH 7.4): 1840.65
Polar Surface Area: 112 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 300.4±3.0 cm3

Click to predict properties on the Chemicalize site


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