ChemSpider 2D Image | 2-Methoxyethyl 5-methyl-4-({4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl}amino)thieno[2,3-d]pyrimidine-6-carboxylate | C22H22N6O5S2

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

  • Molecular FormulaC22H22N6O5S2
  • Average mass514.577 Da
  • Monoisotopic mass514.109314 Da
  • ChemSpider ID20547591

More details:

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

2-Methoxyethyl 5-methyl-4-({4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl}amino)thieno[2,3-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
2-Methoxyethyl-5-methyl-4-({4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl}amino)thieno[2,3-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
5-Méthyl-4-({4-[(4-méthyl-2-pyrimidinyl)sulfamoyl]phényl}amino)thiéno[2,3-d]pyrimidine-6-carboxylate de 2-méthoxyéthyle [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-6-carboxylic acid, 5-methyl-4-[[4-[[(4-methyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]-, 2-methoxyethyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 716.2±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: 1.667
Molar Refractivity: 130.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 211.63
ACD/KOC (pH 5.5): 1507.13
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 35.87
ACD/KOC (pH 7.4): 255.47
Polar Surface Area: 182 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 76.7±3.0 dyne/cm
Molar Volume: 350.9±3.0 cm3

Click to predict properties on the Chemicalize site


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