2,2,2-trifluoro-N-[(1S,2S,5R)-3-(2-methyl-5-m-tolyl-thiazole-4-carbonyl)-7-methyl-3-aza-bicyclo[3.3.0]oct-2-ylmethyl]-acetamide
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3CC(C)C[C@@H]3[C@H]2CNC(=O)C(F)(F)F)c1- InChIKey
VWABIPPQEKUCHR-XIAUJNHSSA-N- Molecular formula
- C23H26F3N3O2S
- Average molar mass
- 465.5 g/mol
- Monoisotopic mass
- 465.16978274
Names & identifiers
- Preferred name
- 2,2,2-trifluoro-N-[(1S,2S,5R)-3-(2-methyl-5-m-tolyl-thiazole-4-carbonyl)-7-methyl-3-aza-bicyclo[3.3.0]oct-2-ylmethyl]-acetamide
- IUPAC
- N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]-2,2,2-trifluoroacetamide
Names & synonyms
2,2,2-trifluoro-N-[(1S,2S,5R)-3-(2-methyl-5-m-tolyl-thiazole-4-carbonyl)-7-methyl-3-aza-bicyclo[3.3.0]oct-2-ylmethyl]-acetamideSCHEMBL496496
Database identifiers
- PubChem CID
- 86643545
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 721
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Related reactions
2 records
Compound notes
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