ChemSpider 2D Image | 2-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}-2-oxoethyl 3-(3-methylbutyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate | C27H32N4O6S

2-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}-2-oxoethyl 3-(3-methylbutyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate

  • Molecular FormulaC27H32N4O6S
  • Average mass540.631 Da
  • Monoisotopic mass540.204285 Da
  • ChemSpider ID3260258

More details:

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

1-Phthalazinecarboxylic acid, 3,4-dihydro-3-(3-methylbutyl)-4-oxo-, 2-[4-[(4-methylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl ester [ACD/Index Name]
2-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}-2-oxoethyl 3-(3-methylbutyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxylate [ACD/IUPAC Name]
2-{4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl}-2-oxoethyl-3-(3-methylbutyl)-4-oxo-3,4-dihydro-1-phthalazincarboxylat [German] [ACD/IUPAC Name]
3-(3-Méthylbutyl)-4-oxo-3,4-dihydro-1-phtalazinecarboxylate de 2-{4-[(4-méthylphényl)sulfonyl]-1-pipérazinyl}-2-oxoéthyle [French] [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: 716.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 386.9±35.7 °C
Index of Refraction: 1.633
Molar Refractivity: 144.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 226.22
ACD/KOC (pH 5.5): 1686.48
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 226.22
ACD/KOC (pH 7.4): 1686.48
Polar Surface Area: 125 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 405.6±7.0 cm3

Click to predict properties on the Chemicalize site


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