4-[4-methyl-3-(4-methylpiperidine-1-sulfonyl)benzamido]benzoic acid
Chemical Structure Depiction of
4-[4-methyl-3-(4-methylpiperidine-1-sulfonyl)benzamido]benzoic acid
4-[4-methyl-3-(4-methylpiperidine-1-sulfonyl)benzamido]benzoic acid
Compound characteristics
| Compound ID: | 3558-0137 |
| Compound Name: | 4-[4-methyl-3-(4-methylpiperidine-1-sulfonyl)benzamido]benzoic acid |
| Molecular Weight: | 416.49 |
| Molecular Formula: | C21 H24 N2 O5 S |
| Smiles: | CC1CCN(CC1)S(c1cc(ccc1C)C(Nc1ccc(cc1)C(O)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9616 |
| logD: | 1.5664 |
| logSw: | -3.9449 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.449 |
| InChI Key: | CGQRWXCSCPJTOL-UHFFFAOYSA-N |