ChemSpider 2D Image | Isopropyl 3'-{(Z)-[({[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-3-biphenylcarboxylate | C30H35N7O3S

Isopropyl 3'-{(Z)-[({[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-3-biphenylcarboxylate

  • Molecular FormulaC30H35N7O3S
  • Average mass573.709 Da
  • Monoisotopic mass573.252197 Da
  • ChemSpider ID81864066

  • Double-bond stereo - Double-bond stereo

More details:

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

[1,1'-Biphenyl]-3-carboxylic acid, 3'-[(Z)-[2-[2-[[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazinylidene]methyl]-, 1-methylethyl ester [ACD/Index Name]
3'-{(Z)-[(2-{[5-(1,5-Diméthyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]sulfanyl}acétyl)hydrazono]méthyl}-3-biphénylcarboxylate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl 3'-{(Z)-[({[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-3-biphenylcarboxylate [ACD/IUPAC Name]
Isopropyl-3'-{(Z)-[({[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-3-biphenylcarboxylat [German] [ACD/IUPAC 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: 1.636
Molar Refractivity: 163.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11439.53
ACD/KOC (pH 5.5): 27963.80
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11438.84
ACD/KOC (pH 7.4): 27962.11
Polar Surface Area: 142 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 456.1±7.0 cm3

Click to predict properties on the Chemicalize site


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