Basic information
- Standard SMILES
Cc1ccccc1NC(=S)NC(=O)NCCCc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1- InChIKey
PNHRNMIJIFDKMA-UHFFFAOYSA-N- Molecular formula
- C27H25F3N6O2S
- Average molar mass
- 554.6 g/mol
Names & identifiers
- Preferred name
- 1-(o-Tolylcarbamothioyl)-3-[3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propyl]urea
- IUPAC
- 1-[(2-methylphenyl)carbamothioyl]-3-[3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propyl]urea
Names & synonyms
1-(o-tolylcarbamothioyl)-3-[3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propyl]ureaSCHEMBL160299201-(o-tolylcarbamothioyl)-3-[3-[4-[1-[4-(trifluoromethoxy)phenyl]-1 H-1,2,4-triazol-3-yl]phenyl]propyl]urea1-(o-tolylcarbamothioyl)-3-[3-[4-[1-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]propyl]urea
Database identifiers
- PubChem CID
- 90404045
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 790
Related reactions
3 records
Compound notes
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