ChemSpider 2D Image | 4-Amino-N-(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)thieno[2,3-d]pyrimidine-5-carboxamide | C21H18N6O2S

4-Amino-N-(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)thieno[2,3-d]pyrimidine-5-carboxamide

  • Molecular FormulaC21H18N6O2S
  • Average mass418.472 Da
  • Monoisotopic mass418.121185 Da
  • ChemSpider ID24808829

More details:

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

4-Amino-N-(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)thieno[2,3-d]pyrimidin-5-carboxamid [German] [ACD/IUPAC Name]
4-Amino-N-(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)thieno[2,3-d]pyrimidine-5-carboxamide [ACD/IUPAC Name]
4-Amino-N-(4-{[(2-méthylphényl)carbamoyl]amino}phényl)thiéno[2,3-d]pyrimidine-5-carboxamide [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-5-carboxamide, 4-amino-N-[4-[[[(2-methylphenyl)amino]carbonyl]amino]phenyl]- [ACD/Index Name]
Kinome_1661

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

Density: 1.5±0.1 g/cm3
Boiling Point: 519.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 268.0±30.1 °C
Index of Refraction: 1.824
Molar Refractivity: 121.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 74.44
ACD/KOC (pH 5.5): 742.57
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 80.93
ACD/KOC (pH 7.4): 807.24
Polar Surface Area: 150 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 85.7±3.0 dyne/cm
Molar Volume: 277.3±3.0 cm3

Click to predict properties on the Chemicalize site


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