ChemSpider 2D Image | (2E)-4-{[4-(2-Methyl-5-oxo-3-pentadecyl-2,5-dihydro-1H-pyrazol-1-yl)phenyl]amino}-4-oxo-2-butenoic acid | C29H43N3O4

(2E)-4-{[4-(2-Methyl-5-oxo-3-pentadecyl-2,5-dihydro-1H-pyrazol-1-yl)phenyl]amino}-4-oxo-2-butenoic acid

  • Molecular FormulaC29H43N3O4
  • Average mass497.669 Da
  • Monoisotopic mass497.325348 Da
  • ChemSpider ID28481093

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-{[4-(2-Methyl-5-oxo-3-pentadecyl-2,5-dihydro-1H-pyrazol-1-yl)phenyl]amino}-4-oxo-2-butenoic acid [ACD/IUPAC Name]
(2E)-4-{[4-(2-Methyl-5-oxo-3-pentadecyl-2,5-dihydro-1H-pyrazol-1-yl)phenyl]amino}-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 4-[[4-(2,5-dihydro-2-methyl-5-oxo-3-pentadecyl-1H-pyrazol-1-yl)phenyl]amino]-4-oxo-, (2E)- [ACD/Index Name]
Acide (2E)-4-{[4-(2-méthyl-5-oxo-3-pentadécyl-2,5-dihydro-1H-pyrazol-1-yl)phényl]amino}-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.557
Molar Refractivity: 144.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 70.35
ACD/KOC (pH 5.5): 138.03
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 5.24
ACD/KOC (pH 7.4): 10.28
Polar Surface Area: 90 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 449.3±3.0 cm3

Click to predict properties on the Chemicalize site


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