ChemSpider 2D Image | Methyl 3-{3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-2,5-dioxo-4-[(4-sulfamoylphenyl)amino]-2,5-dihydro-1H-pyrrol-1-yl}benzoate | C24H21N5O6S2

Methyl 3-{3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-2,5-dioxo-4-[(4-sulfamoylphenyl)amino]-2,5-dihydro-1H-pyrrol-1-yl}benzoate

  • Molecular FormulaC24H21N5O6S2
  • Average mass539.583 Da
  • Monoisotopic mass539.093323 Da
  • ChemSpider ID60084395

More details:

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

3-{3-[(4,6-Diméthyl-2-pyrimidinyl)sulfanyl]-2,5-dioxo-4-[(4-sulfamoylphényl)amino]-2,5-dihydro-1H-pyrrol-1-yl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[3-[[4-(aminosulfonyl)phenyl]amino]-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl]-, methyl ester [ACD/Index Name]
Methyl 3-{3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-2,5-dioxo-4-[(4-sulfamoylphenyl)amino]-2,5-dihydro-1H-pyrrol-1-yl}benzoate [ACD/IUPAC Name]
Methyl-3-{3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-2,5-dioxo-4-[(4-sulfamoylphenyl)amino]-2,5-dihydro-1H-pyrrol-1-yl}benzoat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 757.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 412.0±35.7 °C
Index of Refraction: 1.721
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.42
ACD/KOC (pH 5.5): 198.92
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.40
ACD/KOC (pH 7.4): 198.57
Polar Surface Area: 195 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 88.8±5.0 dyne/cm
Molar Volume: 344.9±5.0 cm3

Click to predict properties on the Chemicalize site


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