ChemSpider 2D Image | 1-(5-{2-[(6-Amino-5-bromo-4-pyrimidinyl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea | C17H15BrF3N7OS

1-(5-{2-[(6-Amino-5-bromo-4-pyrimidinyl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea

  • Molecular FormulaC17H15BrF3N7OS
  • Average mass502.311 Da
  • Monoisotopic mass501.019409 Da
  • ChemSpider ID25058895

More details:






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

1-(5-{2-[(6-Amino-5-brom-4-pyrimidinyl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluormethyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-(5-{2-[(6-Amino-5-bromo-4-pyrimidinyl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea [ACD/IUPAC Name]
1-(5-{2-[(6-Amino-5-bromo-4-pyrimidinyl)amino]éthyl}-1,3-thiazol-2-yl)-3-[3-(trifluorométhyl)phényl]urée [French] [ACD/IUPAC Name]
1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
Urea, N-[5-[2-[(6-amino-5-bromo-4-pyrimidinyl)amino]ethyl]-2-thiazolyl]-N'-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
AK7

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.718
Molar Refractivity: 113.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 864.52
ACD/KOC (pH 5.5): 4112.52
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 71.12
ACD/KOC (pH 7.4): 338.32
Polar Surface Area: 146 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 71.1±3.0 dyne/cm
Molar Volume: 287.6±3.0 cm3

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