Basic information
- Standard SMILES
Cc1ccccc1NC(=S)NC(=O)NCCc1cccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)c1- InChIKey
IKSBWCNYLPUTIM-UHFFFAOYSA-N- Molecular formula
- C26H23F3N6O2S
- Average molar mass
- 540.6 g/mol
Names & identifiers
- Preferred name
- 1-(o-Tolylcarbamothioyl)-3-[2-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]ethyl]urea
- IUPAC
- 1-[(2-methylphenyl)carbamothioyl]-3-[2-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]ethyl]urea
Names & synonyms
1-(o-tolylcarbamothioyl)-3-[2-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]ethyl]ureaSCHEMBL16030812SCHEMBL306042211-(o-tolylcarbamothioyl)-3-[2-[3-[1-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]ethyl]urea
Database identifiers
- PubChem CID
- 90404745
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 783
Related reactions
3 records
Compound notes
Loading…