3-[(4-acetylbenzene-1-sulfonyl)amino]-4-(4-benzylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(4-acetylbenzene-1-sulfonyl)amino]-4-(4-benzylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(4-acetylbenzene-1-sulfonyl)amino]-4-(4-benzylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0066 |
| Compound Name: | 3-[(4-acetylbenzene-1-sulfonyl)amino]-4-(4-benzylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 606.62 |
| Molecular Formula: | C27 H28 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(c1ccc(cc1)S(Nc1cc(ccc1N1CCC(CC1)Cc1ccccc1)C(O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4683 |
| logD: | 2.7295 |
| logSw: | -5.394 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.305 |
| InChI Key: | CLEFQRSNOWXRMM-UHFFFAOYSA-N |