ChemSpider 2D Image | 2-Methoxyethyl 4-({4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl}amino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate | C23H24N6O5S2

2-Methoxyethyl 4-({4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl}amino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

  • Molecular FormulaC23H24N6O5S2
  • Average mass528.604 Da
  • Monoisotopic mass528.124939 Da
  • ChemSpider ID20547233

More details:

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

2-Methoxyethyl 4-({4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl}amino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
2-Methoxyethyl-4-({4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl}amino)-5-methylthieno[2,3-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
4-({4-[(4,6-Diméthyl-2-pyrimidinyl)sulfamoyl]phényl}amino)-5-méthylthiéno[2,3-d]pyrimidine-6-carboxylate de 2-méthoxyéthyle [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-6-carboxylic acid, 4-[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]-5-methyl-, 2-methoxyethyl 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: 724.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 391.7±35.7 °C
Index of Refraction: 1.658
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 290.33
ACD/KOC (pH 5.5): 1919.29
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 113.85
ACD/KOC (pH 7.4): 752.60
Polar Surface Area: 182 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 74.0±3.0 dyne/cm
Molar Volume: 367.2±3.0 cm3

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