ChemSpider 2D Image | Ethyl 1-{2-[(Z)-({[(4-allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]phenyl}-4-piperidinecarboxylate | C31H39N7O3S

Ethyl 1-{2-[(Z)-({[(4-allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]phenyl}-4-piperidinecarboxylate

  • Molecular FormulaC31H39N7O3S
  • Average mass589.752 Da
  • Monoisotopic mass589.283508 Da
  • ChemSpider ID100081380

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{2-[(Z)-({2-[(4-Allyl-5-{1-[(4-méthylphényl)amino]éthyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acétyl}hydrazono)méthyl]phényl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[2-[(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]phenyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{2-[(Z)-({[(4-allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]phenyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{2-[(Z)-({[(4-allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]phenyl}-4-piperidincarboxylat [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: 1.630
Molar Refractivity: 168.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3791.24
ACD/KOC (pH 5.5): 12617.80
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3861.61
ACD/KOC (pH 7.4): 12852.01
Polar Surface Area: 139 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 473.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement