Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1- InChIKey
QGSBGVXBOWJIJC-UHFFFAOYSA-N- Molecular formula
- C22H23F3N4O3
- Average molar mass
- 448.4 g/mol
Names & identifiers
- Preferred name
- tert-butyl 4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenethylcarbamate
- IUPAC
- tert-butyl N-[2-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]ethyl]carbamate
Names & synonyms
tert-butyl 4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenethylcarbamateSCHEMBL16029947
Database identifiers
- PubChem CID
- 90404063
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 598
Related reactions
20 records
Compound notes
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