Basic information
- Standard SMILES
Cc1nc(C(=O)N2[C@H](CNC(=O)c3cccc4occc34)C[C@@H]3C[C@@H]32)c(-c2ccccc2C(F)(F)F)s1- InChIKey
CDJYZBZDMPVNPM-XFQAVAEZSA-N- Molecular formula
- C27H22F3N3O3S
- Average molar mass
- 525.5 g/mol
Names & identifiers
- Preferred name
- benzofuran-4-carboxylic acid {(1S,3S,5S)-2-[2-methyl-5-(2-trifluoromethyl-phenyl)-thiazole-4-carbonyl]-2-aza-bicyclo[3.1.0]hex-3-ylmethyl}-amide
- IUPAC
- N-[[(1S,3S,5S)-2-[2-methyl-5-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-benzofuran-4-carboxamide
Names & synonyms
benzofuran-4-carboxylic acid {(1S,3S,5S)-2-[2-methyl-5-(2-trifluoromethyl-phenyl)-thiazole-4-carbonyl]-2-aza-bicyclo[3.1.0]hex-3-ylmethyl}-amideSCHEMBL1571903
Database identifiers
- PubChem CID
- 67081237
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 891
Related reactions
1 records
Compound notes
Loading…