ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[(Z)-({[(4-allyl-5-{1-[(4-chlorophenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]benzoate | C27H31ClN6O3S

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

  • Molecular FormulaC27H31ClN6O3S
  • Average mass555.091 Da
  • Monoisotopic mass554.186707 Da
  • ChemSpider ID82689774

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Methyl-2-propanyl 4-[(Z)-({[(4-allyl-5-{1-[(4-chlorophenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]benzoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(Z)-({[(4-allyl-5-{1-[(4-chlorphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]benzoat [German] [ACD/IUPAC Name]
4-[(Z)-({2-[(4-Allyl-5-{1-[(4-chlorophényl)amino]éthyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acétyl}hydrazono)méthyl]benzoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(Z)-[2-[2-[[5-[1-[(4-chlorophenyl)amino]ethyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazinylidene]methyl]-, 1,1-dimethylethyl ester [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: 1.613
Molar Refractivity: 153.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 30052.56
ACD/KOC (pH 5.5): 55812.17
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 30079.72
ACD/KOC (pH 7.4): 55862.63
Polar Surface Area: 136 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 441.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement