ChemSpider 2D Image | 1-(11-Amino-5,6-dihydronaphtho[1',2':4,5]thieno[2,3-d]pyrimidin-3-yl)-3-(2-methylphenyl)urea | C22H19N5OS

1-(11-Amino-5,6-dihydronaphtho[1',2':4,5]thieno[2,3-d]pyrimidin-3-yl)-3-(2-methylphenyl)urea

  • Molecular FormulaC22H19N5OS
  • Average mass401.484 Da
  • Monoisotopic mass401.131042 Da
  • ChemSpider ID24809056

More details:

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

1-(11-Amino-5,6-dihydronaphtho[1',2':4,5]thieno[2,3-d]pyrimidin-3-yl)-3-(2-methylphenyl)harnstoff [German] [ACD/IUPAC Name]
1-(11-Amino-5,6-dihydronaphtho[1',2':4,5]thieno[2,3-d]pyrimidin-3-yl)-3-(2-methylphenyl)urea [ACD/IUPAC Name]
1-(11-Amino-5,6-dihydronaphto[1',2':4,5]thiéno[2,3-d]pyrimidin-3-yl)-3-(2-méthylphényl)urée [French] [ACD/IUPAC Name]
Urea, N-(11-amino-5,6-dihydronaphtho[1',2':4,5]thieno[2,3-d]pyrimidin-3-yl)-N'-(2-methylphenyl)- [ACD/Index Name]
Kinome_560

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

Density: 1.5±0.1 g/cm3
Boiling Point: 575.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 301.5±30.1 °C
Index of Refraction: 1.810
Molar Refractivity: 118.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 503.37
ACD/KOC (pH 5.5): 2174.31
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1503.95
ACD/KOC (pH 7.4): 6496.35
Polar Surface Area: 121 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 80.4±3.0 dyne/cm
Molar Volume: 275.1±3.0 cm3

Click to predict properties on the Chemicalize site


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