ChemSpider 2D Image | Ethyl 4-[(2-{[1-(2-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)(2-phenylethyl)amino]-4-oxobutanoate | C30H38N4O4

Ethyl 4-[(2-{[1-(2-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)(2-phenylethyl)amino]-4-oxobutanoate

  • Molecular FormulaC30H38N4O4
  • Average mass518.647 Da
  • Monoisotopic mass518.289307 Da
  • ChemSpider ID2729999

More details:

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

4-[(2-{[1-(2-Méthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoéthyl)(2-phényléthyl)amino]-4-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-[[3-(1,1-dimethylethyl)-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino]-2-oxoethyl](2-phenylethyl)amino]-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-[(2-{[1-(2-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)(2-phenylethyl)amino]-4-oxobutanoate [ACD/IUPAC Name]
Ethyl-4-[(2-{[1-(2-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)(2-phenylethyl)amino]-4-oxobutanoat [German] [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: 710.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.2±32.9 °C
Index of Refraction: 1.570
Molar Refractivity: 150.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8140.94
ACD/KOC (pH 5.5): 21920.18
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8141.40
ACD/KOC (pH 7.4): 21921.41
Polar Surface Area: 94 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 41.9±7.0 dyne/cm
Molar Volume: 459.7±7.0 cm3

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