1-{4-[(4-fluorobenzene-1-sulfonyl)amino]benzoyl}-N-[(oxolan-2-yl)methyl]piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(4-fluorobenzene-1-sulfonyl)amino]benzoyl}-N-[(oxolan-2-yl)methyl]piperidine-4-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(4-fluorobenzene-1-sulfonyl)amino]benzoyl}-N-[(oxolan-2-yl)methyl]piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L445-0018 |
| Compound Name: | 1-{4-[(4-fluorobenzene-1-sulfonyl)amino]benzoyl}-N-[(oxolan-2-yl)methyl]piperidine-4-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 603.59 |
| Molecular Formula: | C24 H28 F N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | C1CC(CNC(C2CCN(CC2)C(c2ccc(cc2)NS(c2ccc(cc2)F)(=O)=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7873 |
| logD: | 0.5569 |
| logSw: | -2.7137 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.604 |
| InChI Key: | OOSAIQGYODCYJH-OAQYLSRUSA-N |