ChemSpider 2D Image | N-(2-Chlorophenyl)-3-[(5-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide | C20H22ClN7OS

N-(2-Chlorophenyl)-3-[(5-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

  • Molecular FormulaC20H22ClN7OS
  • Average mass443.953 Da
  • Monoisotopic mass443.129517 Da
  • ChemSpider ID62602469

  • Double-bond stereo - Double-bond stereo

More details:

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

N-(2-Chlorophenyl)-3-[(5-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide [ACD/IUPAC Name]
N-(2-Chlorophényl)-3-[(5-{(2E)-2-[4-(diméthylamino)benzylidène]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide [French] [ACD/IUPAC Name]
N-(2-Chlorphenyl)-3-[(5-{(2E)-2-[4-(dimethylamino)benzyliden]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]propanamid [German] [ACD/IUPAC Name]
Propanamide, N-(2-chlorophenyl)-3-[[5-[(2E)-2-[[4-(dimethylamino)phenyl]methylene]hydrazinyl]-1H-1,2,4-triazol-3-yl]thio]- [ACD/Index 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: 1.670
Molar Refractivity: 122.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1045.87
ACD/KOC (pH 5.5): 5008.59
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1067.97
ACD/KOC (pH 7.4): 5114.43
Polar Surface Area: 124 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 327.2±7.0 cm3

Click to predict properties on the Chemicalize site


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