1-{4-[(4-chlorobenzene-1-sulfonyl)amino]benzoyl}-N-(propan-2-yl)piperidine-3-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(4-chlorobenzene-1-sulfonyl)amino]benzoyl}-N-(propan-2-yl)piperidine-3-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(4-chlorobenzene-1-sulfonyl)amino]benzoyl}-N-(propan-2-yl)piperidine-3-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L444-0029 |
| Compound Name: | 1-{4-[(4-chlorobenzene-1-sulfonyl)amino]benzoyl}-N-(propan-2-yl)piperidine-3-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 578.01 |
| Molecular Formula: | C22 H26 Cl N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)NC(C1CCCN(C1)C(c1ccc(cc1)NS(c1ccc(cc1)[Cl])(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9212 |
| logD: | 1.6908 |
| logSw: | -3.7349 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.129 |
| InChI Key: | ACRFZQDHQJMXSM-KRWDZBQOSA-N |