2-[(4-ethylbenzene-1-sulfonyl)amino]-5-(4-ethylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(4-ethylbenzene-1-sulfonyl)amino]-5-(4-ethylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
2-[(4-ethylbenzene-1-sulfonyl)amino]-5-(4-ethylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0395 |
| Compound Name: | 2-[(4-ethylbenzene-1-sulfonyl)amino]-5-(4-ethylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 531.55 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(cc1)S(Nc1ccc(cc1C(O)=O)N1CCN(CC)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.484 |
| logD: | 3.484 |
| logSw: | -3.6847 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.588 |
| InChI Key: | YSISIOSMJCEDFJ-UHFFFAOYSA-N |