2-[(2-ethylbenzene-1-sulfonyl)amino]-5-(4-phenylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(2-ethylbenzene-1-sulfonyl)amino]-5-(4-phenylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
2-[(2-ethylbenzene-1-sulfonyl)amino]-5-(4-phenylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0501 |
| Compound Name: | 2-[(2-ethylbenzene-1-sulfonyl)amino]-5-(4-phenylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 579.59 |
| Molecular Formula: | C25 H27 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccccc1S(Nc1ccc(cc1C(O)=O)N1CCN(CC1)c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6771 |
| logD: | 0.7923 |
| logSw: | -4.1457 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.311 |
| InChI Key: | UTDQQTBLPARASB-UHFFFAOYSA-N |