2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}-5-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}-5-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}-5-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0968 |
| Compound Name: | 2-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}-5-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 591.67 |
| Molecular Formula: | C23 H31 N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | C1CCN(CC1)CCC1CCN(CC1)c1ccc(cc1C(O)=O)NS(c1cccs1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5919 |
| logD: | 4.5919 |
| logSw: | -4.1333 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.177 |
| InChI Key: | DTCFBWWSJUJYMK-UHFFFAOYSA-N |