1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR’, where R and R’ are aryl groups.

Diarylethers

Organic compounds

Organooxygen compounds

Ethers

Diarylethers

Calculated Property

kind Value Source
logP 3.95 ALOGPS
logS -5.1 ALOGPS
Water Solubility 3.11e-03 g/l ALOGPS
logP 4.28 ChemAxon
IUPAC Name 1-[4-(pyridin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea ChemAxon
Traditional IUPAC Name 1-[4-(pyridin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea ChemAxon
Molecular Weight 373.3286 ChemAxon
Monoisotopic Weight 373.103811322 ChemAxon
SMILES FC(F)(F)C1=CC(NC(=O)NC2=CC=C(OC3=CC=NC=C3)C=C2)=CC=C1 ChemAxon
Molecular Formula C19H14F3N3O2 ChemAxon
InChI InChI=1S/C19H14F3N3O2/c20-19(21,22)13-2-1-3-15(12-13)25-18(26)24-14-4-6-16(7-5-14)27-17-8-10-23-11-9-17/h1-12H,(H2,24,25,26) ChemAxon
InChIKey InChIKey=DDDLGNOZDKDSEG-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 63.25 ChemAxon
Refractivity 96.11 ChemAxon
Polarizability 33.38 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 11.54 ChemAxon
pKa (strongest basic) 5.95 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Tyrosine-protein kinase ABL1 : in Human