ChemSpider 2D Image | 2-[Cyclohexyl(methyl)amino]-2-oxoethyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)sulfamoyl]benzoate | C27H32N4O6S

2-[Cyclohexyl(methyl)amino]-2-oxoethyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)sulfamoyl]benzoate

  • Molecular FormulaC27H32N4O6S
  • Average mass540.631 Da
  • Monoisotopic mass540.204285 Da
  • ChemSpider ID1795652

More details:

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

2-[Cyclohexyl(methyl)amino]-2-oxoethyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)sulfamoyl]benzoate [ACD/IUPAC Name]
2-[Cyclohexyl(methyl)amino]-2-oxoethyl-3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)sulfamoyl]benzoat [German] [ACD/IUPAC Name]
3-[(1,5-Diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)sulfamoyl]benzoate de 2-[cyclohexyl(méthyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]sulfonyl]-, 2-(cyclohexylmethylamino)-2-oxoethyl ester [ACD/Index Name]
3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoic acid [2-[cyclohexyl(methyl)amino]-2-keto-ethyl] ester

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

ZINC03289114 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 713.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 385.2±35.7 °C
Index of Refraction: 1.647
Molar Refractivity: 142.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 14.63
ACD/KOC (pH 5.5): 202.83
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.28
Polar Surface Area: 125 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 66.4±5.0 dyne/cm
Molar Volume: 391.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement