ChemSpider 2D Image | Methyl 4-(3-{4-[(Z)-({[(4-allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]phenoxy}propoxy)benzoate | C34H38N6O5S

Methyl 4-(3-{4-[(Z)-({[(4-allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]phenoxy}propoxy)benzoate

  • Molecular FormulaC34H38N6O5S
  • Average mass642.768 Da
  • Monoisotopic mass642.262451 Da
  • ChemSpider ID100081530

  • Double-bond stereo - Double-bond stereo

More details:

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

4-(3-{4-[(Z)-({2-[(4-Allyl-5-{1-[(4-méthylphényl)amino]éthyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acétyl}hydrazono)méthyl]phénoxy}propoxy)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-[4-[(Z)-[2-[2-[[5-[1-[(4-methylphenyl)amino]ethyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazinylidene]methyl]phenoxy]propoxy]-, methyl ester [ACD/Index Name]
Methyl 4-(3-{4-[(Z)-({[(4-allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]phenoxy}propoxy)benzoate [ACD/IUPAC Name]
Methyl-4-(3-{4-[(Z)-({[(4-allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]phenoxy}propoxy)benzoat [German] [ACD/IUPAC 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: 181.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19508.06
ACD/KOC (pH 5.5): 40816.30
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19771.76
ACD/KOC (pH 7.4): 41368.04
Polar Surface Area: 154 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 524.0±7.0 cm3

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