ChemSpider 2D Image | 4-Amino-N-(4-{[(3,5-dimethylphenyl)carbamoyl]amino}phenyl)thieno[2,3-d]pyrimidine-5-carboxamide | C22H20N6O2S

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

  • Molecular FormulaC22H20N6O2S
  • Average mass432.498 Da
  • Monoisotopic mass432.136841 Da
  • ChemSpider ID24809058

More details:

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

4-Amino-N-(4-{[(3,5-dimethylphenyl)carbamoyl]amino}phenyl)thieno[2,3-d]pyrimidin-5-carboxamid [German] [ACD/IUPAC Name]
4-Amino-N-(4-{[(3,5-dimethylphenyl)carbamoyl]amino}phenyl)thieno[2,3-d]pyrimidine-5-carboxamide [ACD/IUPAC Name]
4-Amino-N-(4-{[(3,5-diméthylphényl)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-[[[(3,5-dimethylphenyl)amino]carbonyl]amino]phenyl]- [ACD/Index Name]
Kinome_552

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

Density: 1.5±0.1 g/cm3
Boiling Point: 532.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.7±30.1 °C
Index of Refraction: 1.804
Molar Refractivity: 125.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 113.71
ACD/KOC (pH 5.5): 1005.70
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 123.57
ACD/KOC (pH 7.4): 1092.90
Polar Surface Area: 150 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 81.3±3.0 dyne/cm
Molar Volume: 293.6±3.0 cm3

Click to predict properties on the Chemicalize site


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