Basic information
- Standard SMILES
CCOC(=O)CCc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1- InChIKey
CSELFGHXEJHMGY-UHFFFAOYSA-N- Molecular formula
- C20H18F3N3O3
- Average molar mass
- 405.4 g/mol
Names & identifiers
- Preferred name
- ethyl 3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)propanoate
- IUPAC
- ethyl 3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propanoate
Names & synonyms
ethyl 3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)propanoateSCHEMBL16030064
Database identifiers
- PubChem CID
- 90404145
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 519
Related reactions
3 records
Compound notes
Loading…