ChemSpider 2D Image | Ethyl 4-{[butyl(2-{[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)carbamoyl]amino}benzoate | C33H37N5O5

Ethyl 4-{[butyl(2-{[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)carbamoyl]amino}benzoate

  • Molecular FormulaC33H37N5O5
  • Average mass583.677 Da
  • Monoisotopic mass583.279480 Da
  • ChemSpider ID2849147

More details:

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

4-{[Butyl(2-{[1-(4-méthoxyphényl)-3-méthyl-4-phényl-1H-pyrazol-5-yl]amino}-2-oxoéthyl)carbamoyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[butyl[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]amino]-2-oxoethyl]amino]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[butyl(2-{[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)carbamoyl]amino}benzoate [ACD/IUPAC Name]
Ethyl-4-{[butyl(2-{[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)carbamoyl]amino}benzoat [German] [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: 767.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 418.1±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 166.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3641.51
ACD/KOC (pH 5.5): 12323.90
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3641.75
ACD/KOC (pH 7.4): 12324.73
Polar Surface Area: 115 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 485.8±7.0 cm3

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