Basic information
- Standard SMILES
O=C(Nc1ccc(Oc2ccnc(NCCCCO)n2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1- InChIKey
FSLZMBSAWPSKQD-UHFFFAOYSA-N- Molecular formula
- C22H21ClF3N5O3
- Average molar mass
- 495.9 g/mol
- Monoisotopic mass
- 495.1285017
Names & identifiers
- Preferred name
- 1-(4-Chloro-3-trifluoromethylphenyl)-3-{4-[2-(4-hydroxy-butylamino)-pyrimidin-4-yloxy]-phenyl}-urea
- IUPAC
- 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(4-hydroxybutylamino)pyrimidin-4-yl]oxyphenyl]urea
Names & synonyms
1-(4-Chloro-3-trifluoromethylphenyl)-3-{4-[2-(4-hydroxy-butylamino)-pyrimidin-4-yloxy]-phenyl}-ureaSCHEMBL2763105
Database identifiers
- PubChem CID
- 24997652
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 625
Related reactions
2 records
Compound notes
Loading…