ChemSpider 2D Image | N-(4-Chloro-2-methylphenyl)-2-[(5-{(2E)-2-[4-(diethylamino)-2-hydroxybenzylidene]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide | C22H26ClN7O2S

N-(4-Chloro-2-methylphenyl)-2-[(5-{(2E)-2-[4-(diethylamino)-2-hydroxybenzylidene]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

  • Molecular FormulaC22H26ClN7O2S
  • Average mass488.005 Da
  • Monoisotopic mass487.155731 Da
  • ChemSpider ID62442589
  • Double-bond stereo - Double-bond stereo


More details:






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

Acetamide, N-(4-chloro-2-methylphenyl)-2-[[5-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylene]hydrazinyl]-1H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N-(4-Chlor-2-methylphenyl)-2-[(5-{(2E)-2-[4-(diethylamino)-2-hydroxybenzyliden]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]acetamid [German] [ACD/IUPAC Name]
N-(4-Chloro-2-methylphenyl)-2-[(5-{(2E)-2-[4-(diethylamino)-2-hydroxybenzylidene]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide [ACD/IUPAC Name]
N-(4-Chloro-2-méthylphényl)-2-[(5-{(2E)-2-[4-(diéthylamino)-2-hydroxybenzylidène]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.665
Molar Refractivity: 132.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4398.63
ACD/KOC (pH 5.5): 12743.30
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5891.22
ACD/KOC (pH 7.4): 17067.49
Polar Surface Area: 144 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 355.7±7.0 cm3

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