ChemSpider 2D Image | 2-{5-Bromo-2-ethoxy-4-[(Z)-{[(1-{[4-(2-methyl-2-propanyl)phenoxy]methyl}-1H-pyrazol-3-yl)carbonyl]hydrazono}methyl]phenoxy}-N-cyclohexylacetamide | C32H40BrN5O5

2-{5-Bromo-2-ethoxy-4-[(Z)-{[(1-{[4-(2-methyl-2-propanyl)phenoxy]methyl}-1H-pyrazol-3-yl)carbonyl]hydrazono}methyl]phenoxy}-N-cyclohexylacetamide

  • Molecular FormulaC32H40BrN5O5
  • Average mass654.594 Da
  • Monoisotopic mass653.221252 Da
  • ChemSpider ID103631038

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole-3-carboxylic acid, 1-[[4-(1,1-dimethylethyl)phenoxy]methyl]-, 2-[(1Z)-[2-bromo-4-[2-(cyclohexylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylene]hydrazide [ACD/Index Name]
2-{5-Brom-2-ethoxy-4-[(Z)-{[(1-{[4-(2-methyl-2-propanyl)phenoxy]methyl}-1H-pyrazol-3-yl)carbonyl]hydrazono}methyl]phenoxy}-N-cyclohexylacetamid [German] [ACD/IUPAC Name]
2-{5-Bromo-2-ethoxy-4-[(Z)-{[(1-{[4-(2-methyl-2-propanyl)phenoxy]methyl}-1H-pyrazol-3-yl)carbonyl]hydrazono}methyl]phenoxy}-N-cyclohexylacetamide [ACD/IUPAC Name]
2-{5-Bromo-2-éthoxy-4-[(Z)-{[(1-{[4-(2-méthyl-2-propanyl)phénoxy]méthyl}-1H-pyrazol-3-yl)carbonyl]hydrazono}méthyl]phénoxy}-N-cyclohexylacétamide [French] [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: 1.606
Molar Refractivity: 169.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11093.43
ACD/KOC (pH 5.5): 27355.62
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11089.46
ACD/KOC (pH 7.4): 27345.83
Polar Surface Area: 116 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 490.8±7.0 cm3

Click to predict properties on the Chemicalize site


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