2-(4-benzylpiperidin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid
Chemical Structure Depiction of
2-(4-benzylpiperidin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid
2-(4-benzylpiperidin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid
Compound characteristics
| Compound ID: | F294-0053 |
| Compound Name: | 2-(4-benzylpiperidin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid |
| Molecular Weight: | 606.66 |
| Molecular Formula: | C28 H32 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)c1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCC(CC1)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0749 |
| logD: | 4.9592 |
| logSw: | -5.6351 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.176 |
| InChI Key: | KNPPARLWYKGAFQ-UHFFFAOYSA-N |