N-butyl-1-{4-[(4-chlorobenzene-1-sulfonyl)amino]benzoyl}piperidine-3-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-1-{4-[(4-chlorobenzene-1-sulfonyl)amino]benzoyl}piperidine-3-carboxamide--trifluoroacetic acid (1/1)
N-butyl-1-{4-[(4-chlorobenzene-1-sulfonyl)amino]benzoyl}piperidine-3-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L444-0299 |
| Compound Name: | N-butyl-1-{4-[(4-chlorobenzene-1-sulfonyl)amino]benzoyl}piperidine-3-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 592.03 |
| Molecular Formula: | C23 H28 Cl N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCNC(C1CCCN(C1)C(c1ccc(cc1)NS(c1ccc(cc1)[Cl])(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6199 |
| logD: | 2.3894 |
| logSw: | -4.0239 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.996 |
| InChI Key: | KVGSHNDWRMTUMN-SFHVURJKSA-N |