3-[(4-ethoxybenzene-1-sulfonyl)amino]-4-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(4-ethoxybenzene-1-sulfonyl)amino]-4-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-[(4-ethoxybenzene-1-sulfonyl)amino]-4-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0345 |
| Compound Name: | 3-[(4-ethoxybenzene-1-sulfonyl)amino]-4-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 613.58 |
| Molecular Formula: | C25 H26 F N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCOc1ccc(cc1)S(Nc1cc(ccc1N1CCN(CC1)c1ccc(cc1)F)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1102 |
| logD: | 3.3497 |
| logSw: | -4.7925 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.134 |
| InChI Key: | NISCSKUHHGUJTR-UHFFFAOYSA-N |