ChemSpider 2D Image | 2-(3-Methyl-1-piperidinyl)-2-oxoethyl 5-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)sulfamoyl]-2-methylbenzoate | C27H32N4O6S

2-(3-Methyl-1-piperidinyl)-2-oxoethyl 5-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)sulfamoyl]-2-methylbenzoate

  • Molecular FormulaC27H32N4O6S
  • Average mass540.631 Da
  • Monoisotopic mass540.204285 Da
  • ChemSpider ID3481524

More details:

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

2-(3-Methyl-1-piperidinyl)-2-oxoethyl 5-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)sulfamoyl]-2-methylbenzoate [ACD/IUPAC Name]
2-(3-Methyl-1-piperidinyl)-2-oxoethyl-5-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)sulfamoyl]-2-methylbenzoat [German] [ACD/IUPAC Name]
5-[(1,5-Diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)sulfamoyl]-2-méthylbenzoate de 2-(3-méthyl-1-pipéridinyl)-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]sulfonyl]-2-methyl-, 2-(3-methyl-1-piperidinyl)-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: 711.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 383.9±35.7 °C
Index of Refraction: 1.648
Molar Refractivity: 142.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 30.42
ACD/KOC (pH 5.5): 372.12
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.95
ACD/KOC (pH 7.4): 23.85
Polar Surface Area: 125 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 391.4±5.0 cm3

Click to predict properties on the Chemicalize site


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