4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0292 |
| Compound Name: | 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 606.04 |
| Molecular Formula: | C22 H22 Cl N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)c1ccc(cc1NS(c1cccs1)(=O)=O)C(O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6362 |
| logD: | 3.6983 |
| logSw: | -5.6794 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.728 |
| InChI Key: | XIRXEQZFBDLIBW-UHFFFAOYSA-N |