2-(4-methylpiperidin-1-yl)-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(4-methylpiperidin-1-yl)-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-(4-methylpiperidin-1-yl)-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0158 |
| Compound Name: | 2-(4-methylpiperidin-1-yl)-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 542.57 |
| Molecular Formula: | C23 H28 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC1CCN(CC1)c1ccc(cc1C(O)=O)NS(c1ccc2CCCCc2c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3412 |
| logD: | 3.2255 |
| logSw: | -5.1472 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.368 |
| InChI Key: | VWKJYDQYGZARTC-UHFFFAOYSA-N |