Basic information
- Standard SMILES
COc1ccc(C(=O)NC[C@@H]2[C@H]3C[C@H]3CN2C(=O)c2nc(C)sc2-c2cccc(C)c2)cc1C(F)(F)F- InChIKey
IBLKEEJLIRUEPI-IRFCIJBXSA-N- Molecular formula
- C27H26F3N3O3S
- Average molar mass
- 529.6 g/mol
- Monoisotopic mass
- 529.16469736
Names & identifiers
- Preferred name
- 4-Methoxy-N-[(1S,2S,5R)-3-(2-methyl-5-m-tolyl-thiazole-4-carbonyl)-3-aza-bicyclo[3.1.0]hex-2-ylmethyl]-3-trifluoromethyl-benzamide
- IUPAC
- 4-methoxy-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-(trifluoromethyl)benzamide
Names & synonyms
4-Methoxy-N-[(1S,2S,5R)-3-(2-methyl-5-m-tolyl-thiazole-4-carbonyl)-3-aza-bicyclo[3.1.0]hex-2-ylmethyl]-3-trifluoromethyl-benzamideSCHEMBL1339950
Database identifiers
- PubChem CID
- 66998626
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 860
Related reactions
1 records
Compound notes
Loading…