Basic information
- Standard SMILES
CC(C)c1ccccc1NC(=S)NC(=O)NCCc1cccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)c1- InChIKey
JYEABOFIEKHGFA-UHFFFAOYSA-N- Molecular formula
- C28H27F3N6O2S
- Average molar mass
- 568.6 g/mol
- Monoisotopic mass
- 568.18682979
Names & identifiers
- Preferred name
- 1-[(2-Isopropylphenyl)carbamothioyl]-3-[2-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]ethyl]urea
- IUPAC
- 1-[(2-propan-2-ylphenyl)carbamothioyl]-3-[2-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]ethyl]urea
Names & synonyms
1-[(2-isopropylphenyl)carbamothioyl]-3-[2-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]ethyl]ureaSCHEMBL16031291SCHEMBL306043131-[(2-isopropylphenyl)carbamothioyl]-3-[2-[3-[1-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]ethyl]urea
Database identifiers
- PubChem CID
- 90405148
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 826
Related reactions
3 records
Compound notes
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