ChemSpider 2D Image | 1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-1-oxo-2-propanyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate | C27H28N4O6S

1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-1-oxo-2-propanyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate

  • Molecular FormulaC27H28N4O6S
  • Average mass536.599 Da
  • Monoisotopic mass536.172974 Da
  • ChemSpider ID2505716

More details:

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

1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-1-oxo-2-propanyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate [ACD/IUPAC Name]
1-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-1-oxo-2-propanyl-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoat [German] [ACD/IUPAC Name]
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(méthylsulfanyl)butanoate de 1-[(1,5-diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)amino]-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, 1,3-dihydro-α-[2-(methylthio)ethyl]-1,3-dioxo-, 2-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]-1-methyl-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 141.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.51
ACD/KOC (pH 5.5): 1009.89
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.47
ACD/KOC (pH 7.4): 1009.55
Polar Surface Area: 142 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 380.9±5.0 cm3

Click to predict properties on the Chemicalize site


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