1-{4-[(3-methoxybenzene-1-sulfonyl)amino]benzoyl}-N-(prop-2-en-1-yl)piperidine-3-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(3-methoxybenzene-1-sulfonyl)amino]benzoyl}-N-(prop-2-en-1-yl)piperidine-3-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(3-methoxybenzene-1-sulfonyl)amino]benzoyl}-N-(prop-2-en-1-yl)piperidine-3-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L444-0190 |
| Compound Name: | 1-{4-[(3-methoxybenzene-1-sulfonyl)amino]benzoyl}-N-(prop-2-en-1-yl)piperidine-3-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 571.57 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1cccc(c1)S(Nc1ccc(cc1)C(N1CCCC(C1)C(NCC=C)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0108 |
| logD: | 1.5467 |
| logSw: | -2.7744 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.54 |
| InChI Key: | XPVLXWCHVDDISH-SFHVURJKSA-N |