ChemSpider 2D Image | CD532 | C26H25F3N8O

CD532

  • Molecular FormulaC26H25F3N8O
  • Average mass522.525 Da
  • Monoisotopic mass522.210327 Da
  • ChemSpider ID34448778

More details:

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

1-[4-({4-[(5-Cyclopentyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl}amino)phenyl]-3-[3-(trifluormethyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-[4-({4-[(5-Cyclopentyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl}amino)phenyl]-3-[3-(trifluoromethyl)phenyl]urea [ACD/IUPAC Name]
1-[4-({4-[(5-Cyclopentyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl}amino)phényl]-3-[3-(trifluorométhyl)phényl]urée [French] [ACD/IUPAC Name]
CD532
Urea, N-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]amino]phenyl]-N'-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
(E)-1-(4-((4-((5-cyclopentyl-1H-pyrazol-3-yl)imino)-1,4-dihydropyrimidin-2-yl)amino)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
1-[4-({4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
1-[4-({4-[(5-cyclopentyl-1H-pyrazol-3-yl)imino]-1,4-dihydropyrimidin-2-yl}amino)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
1-[4-[[4-[(5-Cyclopentyl-1h-Pyrazol-3-Yl)amino]pyrimidin-2-Yl]amino]phenyl]-3-[3-(Trifluoromethyl)phenyl]urea
1639009-81-6 [RN]
More...
  • Miscellaneous

    • Chemical Class:

      A member of the class of phenylureas that is urea with 4-[[4-[(5-cyclopentylpyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl and 3-[3-(trifluoromethyl)phenyl substituents at positions N1 and N3. ChEBI CHEBI:83432

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 4785.77
ACD/KOC (pH 5.5): 14138.37
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5844.91
ACD/KOC (pH 7.4): 17267.32
Polar Surface Area: 120 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 356.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement