N-butyl-1-{4-[(4-fluorobenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-1-{4-[(4-fluorobenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
N-butyl-1-{4-[(4-fluorobenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L445-0300 |
| Compound Name: | N-butyl-1-{4-[(4-fluorobenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 575.58 |
| Molecular Formula: | C23 H28 F N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCNC(C1CCN(CC1)C(c1ccc(cc1)NS(c1ccc(cc1)F)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9641 |
| logD: | 1.7336 |
| logSw: | -3.35 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.063 |
| InChI Key: | CYWHVUAFNWLKMX-UHFFFAOYSA-N |