ChemSpider 2D Image | N-(4-Chloro-3-methoxyphenyl)-3-[(5-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazino}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide | C21H24ClN7O2S

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

  • Molecular FormulaC21H24ClN7O2S
  • Average mass473.979 Da
  • Monoisotopic mass473.140076 Da
  • ChemSpider ID68670427

  • Double-bond stereo - Double-bond stereo

More details:

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

N-(4-Chlor-3-methoxyphenyl)-3-[(5-{(2E)-2-[4-(dimethylamino)benzyliden]hydrazino}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamid [German] [ACD/IUPAC Name]
N-(4-Chloro-3-methoxyphenyl)-3-[(5-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazino}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide [ACD/IUPAC Name]
N-(4-Chloro-3-méthoxyphényl)-3-[(5-{(2E)-2-[4-(diméthylamino)benzylidène]hydrazino}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide [French] [ACD/IUPAC Name]
Propanamide, N-(4-chloro-3-methoxyphenyl)-3-[[5-[(2E)-2-[[4-(dimethylamino)phenyl]methylene]hydrazinyl]-4H-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: 1.655
Molar Refractivity: 128.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1726.05
ACD/KOC (pH 5.5): 7168.01
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1730.13
ACD/KOC (pH 7.4): 7184.95
Polar Surface Area: 133 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 348.9±7.0 cm3

Click to predict properties on the Chemicalize site


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