Basic information
- Standard SMILES
CN(C(=O)c1cc2c(s1)-c1ccccc1OCC2)c1ccccc1C(F)(F)F- InChIKey
XHADAWKDMOJFBG-UHFFFAOYSA-N- Molecular formula
- C21H16F3NO2S
- Average molar mass
- 403.4 g/mol
Names & identifiers
- Preferred name
- N-methyl-N-(2-(trifluoromethyl)phenyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide
- IUPAC
- N-methyl-N-[2-(trifluoromethyl)phenyl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
Names & synonyms
N-methyl-N-(2-(trifluoromethyl)phenyl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamideSCHEMBL988323
Database identifiers
- PubChem CID
- 44242298
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 572
Related reactions
5 records
Compound notes
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