ChemSpider 2D Image | 2-(4-{(Z)-[(2-{[4-Allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoyl)hydrazono]methyl}-2-methoxyphenoxy)-N,N-diphenylacetamide | C37H36N6O5S

2-(4-{(Z)-[(2-{[4-Allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoyl)hydrazono]methyl}-2-methoxyphenoxy)-N,N-diphenylacetamide

  • Molecular FormulaC37H36N6O5S
  • Average mass676.784 Da
  • Monoisotopic mass676.246765 Da
  • ChemSpider ID82703435

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(4-{(Z)-[(2-{[4-Allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoyl)hydrazono]methyl}-2-methoxyphenoxy)-N,N-diphenylacetamid [German] [ACD/IUPAC Name]
2-(4-{(Z)-[(2-{[4-Allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoyl)hydrazono]methyl}-2-methoxyphenoxy)-N,N-diphenylacetamide [ACD/IUPAC Name]
2-(4-{(Z)-[(2-{[4-Allyl-5-(phénoxyméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoyl)hydrazono]méthyl}-2-méthoxyphénoxy)-N,N-diphénylacétamide [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[5-(phenoxymethyl)-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-[4-[2-(diphenylamino)-2-oxoethoxy]-3-methoxyphenyl]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: 1.621
Molar Refractivity: 193.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 7.04
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18448.83
ACD/KOC (pH 5.5): 39369.73
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18448.22
ACD/KOC (pH 7.4): 39368.43
Polar Surface Area: 145 Å2
Polarizability: 76.7±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 550.5±7.0 cm3

Click to predict properties on the Chemicalize site


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