ChemSpider 2D Image | 1-(11-Amino-5,6-dihydronaphtho[1',2':4,5]thieno[2,3-d]pyrimidin-3-yl)-3-(3-ethylphenyl)urea | C23H21N5OS

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

  • Molecular FormulaC23H21N5OS
  • Average mass415.511 Da
  • Monoisotopic mass415.146667 Da
  • ChemSpider ID24809054

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-(3-ethylphenyl)harnstoff [German] [ACD/IUPAC Name]
1-(11-Amino-5,6-dihydronaphtho[1',2':4,5]thieno[2,3-d]pyrimidin-3-yl)-3-(3-ethylphenyl)urea [ACD/IUPAC Name]
1-(11-Amino-5,6-dihydronaphto[1',2':4,5]thiéno[2,3-d]pyrimidin-3-yl)-3-(3-éthylphényl)urée [French] [ACD/IUPAC Name]
Urea, N-(11-amino-5,6-dihydronaphtho[1',2':4,5]thieno[2,3-d]pyrimidin-3-yl)-N'-(3-ethylphenyl)- [ACD/Index Name]
Kinome_568

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

Density: 1.4±0.1 g/cm3
Boiling Point: 585.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.0±30.1 °C
Index of Refraction: 1.789
Molar Refractivity: 123.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 900.03
ACD/KOC (pH 5.5): 3301.16
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2674.47
ACD/KOC (pH 7.4): 9809.49
Polar Surface Area: 121 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 76.6±3.0 dyne/cm
Molar Volume: 291.6±3.0 cm3

Click to predict properties on the Chemicalize site


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