ChemSpider 2D Image | 2-(4-{(Z)-[(2-{[4-Allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoyl)hydrazono]methyl}-2-ethoxyphenoxy)-N-(2-phenylethyl)acetamide | C34H38N6O5S

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

  • Molecular FormulaC34H38N6O5S
  • Average mass642.768 Da
  • Monoisotopic mass642.262451 Da
  • ChemSpider ID100368232

  • 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-ethoxyphenoxy)-N-(2-phenylethyl)acetamid [German] [ACD/IUPAC Name]
2-(4-{(Z)-[(2-{[4-Allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoyl)hydrazono]methyl}-2-ethoxyphenoxy)-N-(2-phenylethyl)acetamide [ACD/IUPAC Name]
2-(4-{(Z)-[(2-{[4-Allyl-5-(phénoxyméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoyl)hydrazono]méthyl}-2-éthoxyphénoxy)-N-(2-phényléthyl)acétamide [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[5-(phenoxymethyl)-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-[3-ethoxy-4-[2-oxo-2-[(2-phenylethyl)amino]ethoxy]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: 1.608
Molar Refractivity: 181.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 7921.92
ACD/KOC (pH 5.5): 21496.53
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7921.64
ACD/KOC (pH 7.4): 21495.78
Polar Surface Area: 154 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 524.9±7.0 cm3

Click to predict properties on the Chemicalize site


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