ChemSpider 2D Image | 2-[(4-Allyl-5-{[(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-{3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl}methylene]acetohydrazide | C29H35N7O5S

2-[(4-Allyl-5-{[(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-{3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl}methylene]acetohydrazide

  • Molecular FormulaC29H35N7O5S
  • Average mass593.697 Da
  • Monoisotopic mass593.242065 Da
  • ChemSpider ID100060490

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(4-Allyl-5-{[(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-{3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl}methylen]acetohydrazid [German] [ACD/IUPAC Name]
2-[(4-Allyl-5-{[(4-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-{3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl}methylene]acetohydrazide [ACD/IUPAC Name]
2-[(4-Allyl-5-{[(4-méthylphényl)amino]méthyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-{3-méthoxy-4-[2-(4-morpholinyl)-2-oxoéthoxy]phényl}méthylène]acétohydrazide [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[[(4-methylphenyl)amino]methyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-[3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]methylene]hydrazide [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 162.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.48
ACD/KOC (pH 5.5): 845.60
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.07
ACD/KOC (pH 7.4): 851.44
Polar Surface Area: 158 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 455.5±7.0 cm3

Click to predict properties on the Chemicalize site


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