ChemSpider 2D Image | 4-[(Z)-({[1-(4-Fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}hydrazono)methyl]-2,6-dimethylphenyl 2,5,8,11-tetraoxatetradecan-14-oate | C31H39FN4O7

4-[(Z)-({[1-(4-Fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}hydrazono)methyl]-2,6-dimethylphenyl 2,5,8,11-tetraoxatetradecan-14-oate

  • Molecular FormulaC31H39FN4O7
  • Average mass598.662 Da
  • Monoisotopic mass598.280273 Da
  • ChemSpider ID102044614

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole-5-carboxylic acid, 1-[(4-fluorophenyl)methyl]-3-methyl-, 2-[(1Z)-[3,5-dimethyl-4-[(1-oxo-4,7,10,13-tetraoxatetradec-1-yl)oxy]phenyl]methylene]hydrazide [ACD/Index Name]
2,5,8,11-Tétraoxatétradécan-14-oate de 4-[(Z)-({[1-(4-fluorobenzyl)-3-méthyl-1H-pyrazol-5-yl]carbonyl}hydrazono)méthyl]-2,6-diméthylphényle [French] [ACD/IUPAC Name]
4-[(Z)-({[1-(4-Fluorbenzyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}hydrazono)methyl]-2,6-dimethylphenyl-2,5,8,11-tetraoxatetradecan-14-oat [German] [ACD/IUPAC Name]
4-[(Z)-({[1-(4-Fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}hydrazono)methyl]-2,6-dimethylphenyl 2,5,8,11-tetraoxatetradecan-14-oate [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: 1.552
Molar Refractivity: 158.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 261.44
ACD/KOC (pH 5.5): 1870.52
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 261.43
ACD/KOC (pH 7.4): 1870.45
Polar Surface Area: 123 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 41.2±7.0 dyne/cm
Molar Volume: 496.5±7.0 cm3

Click to predict properties on the Chemicalize site


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