ChemSpider 2D Image | Ethyl 4-[({2-[5-(4-ethylphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetyl)amino]benzoate | C31H30N4O4S

Ethyl 4-[({2-[5-(4-ethylphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetyl)amino]benzoate

  • Molecular FormulaC31H30N4O4S
  • Average mass554.659 Da
  • Monoisotopic mass554.198792 Da
  • ChemSpider ID21683044

More details:

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

4-[(2-{2-[5-(4-Éthylphényl)-3-phényl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acétyl)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[2-[5-(4-ethylphenyl)-4,5-dihydro-3-phenyl-1H-pyrazol-1-yl]-4,5-dihydro-4-oxo-5-thiazolyl]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-[({2-[5-(4-ethylphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetyl)amino]benzoate [ACD/IUPAC Name]
Ethyl-4-[({2-[5-(4-ethylphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetyl)amino]benzoat [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: 1.663
Molar Refractivity: 157.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4615.11
ACD/KOC (pH 5.5): 14602.00
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4615.17
ACD/KOC (pH 7.4): 14602.21
Polar Surface Area: 126 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 424.3±7.0 cm3

Click to predict properties on the Chemicalize site


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