ChemSpider 2D Image | 2-[(4-Allyl-5-{1-[(4-chlorophenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-{3-methoxy-2-[(2-methyl-2-propen-1-yl)oxy]phenyl}methylene]acetohydrazide | C27H31ClN6O3S

2-[(4-Allyl-5-{1-[(4-chlorophenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-{3-methoxy-2-[(2-methyl-2-propen-1-yl)oxy]phenyl}methylene]acetohydrazide

  • Molecular FormulaC27H31ClN6O3S
  • Average mass555.091 Da
  • Monoisotopic mass554.186707 Da
  • ChemSpider ID82689497

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(4-Allyl-5-{1-[(4-chlorophenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-{3-methoxy-2-[(2-methyl-2-propen-1-yl)oxy]phenyl}methylene]acetohydrazide [ACD/IUPAC Name]
2-[(4-Allyl-5-{1-[(4-chlorophényl)amino]éthyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-{3-méthoxy-2-[(2-méthyl-2-propén-1-yl)oxy]phényl}méthylène]acétohydrazide [French] [ACD/IUPAC Name]
2-[(4-Allyl-5-{1-[(4-chlorphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-{3-methoxy-2-[(2-methyl-2-propen-1-yl)oxy]phenyl}methylen]acetohydrazid [German] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[1-[(4-chlorophenyl)amino]ethyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-[3-methoxy-2-[(2-methyl-2-propen-1-yl)oxy]phenyl]methylene]hydrazide [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.607
Molar Refractivity: 153.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4742.18
ACD/KOC (pH 5.5): 14884.53
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4746.31
ACD/KOC (pH 7.4): 14897.50
Polar Surface Area: 128 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 445.1±7.0 cm3

Click to predict properties on the Chemicalize site


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