3-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-4-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-4-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-4-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0163 |
| Compound Name: | 3-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-4-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 552.95 |
| Molecular Formula: | C20 H23 Cl N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC1CCN(CC1)c1ccc(cc1NS(c1ccc(c(c1)[Cl])OC)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.466 |
| logD: | 2.7054 |
| logSw: | -4.3493 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.38 |
| InChI Key: | OTZDGSFMSSUSKI-UHFFFAOYSA-N |