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

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

  • Molecular FormulaC22H26ClN7O2S
  • Average mass488.005 Da
  • Monoisotopic mass487.155731 Da
  • ChemSpider ID62441469
  • Double-bond stereo - Double-bond stereo


More details:






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

Acetamide, N-(5-chloro-2-methoxyphenyl)-2-[[5-[(2E)-2-[[4-(diethylamino)phenyl]methylene]hydrazinyl]-1H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N-(5-Chlor-2-methoxyphenyl)-2-[(5-{(2E)-2-[4-(diethylamino)benzyliden]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]acetamid [German] [ACD/IUPAC Name]
N-(5-Chloro-2-methoxyphenyl)-2-[(5-{(2E)-2-[4-(diethylamino)benzylidene]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide [ACD/IUPAC Name]
N-(5-Chloro-2-méthoxyphényl)-2-[(5-{(2E)-2-[4-(diéthylamino)benzylidène]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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 132.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2312.83
ACD/KOC (pH 5.5): 7522.91
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4116.21
ACD/KOC (pH 7.4): 13388.75
Polar Surface Area: 133 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 364.9±7.0 cm3

Click to predict properties on the Chemicalize site






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