2-[(4-ethoxybenzene-1-sulfonyl)amino]-5-(4-phenylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(4-ethoxybenzene-1-sulfonyl)amino]-5-(4-phenylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
2-[(4-ethoxybenzene-1-sulfonyl)amino]-5-(4-phenylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0453 |
| Compound Name: | 2-[(4-ethoxybenzene-1-sulfonyl)amino]-5-(4-phenylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 595.59 |
| Molecular Formula: | C25 H27 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCOc1ccc(cc1)S(Nc1ccc(cc1C(O)=O)N1CCN(CC1)c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3948 |
| logD: | 0.5099 |
| logSw: | -4.0518 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.435 |
| InChI Key: | VUQRDFHZHMTXPN-UHFFFAOYSA-N |