4-(4-ethylpiperazin-1-yl)-3-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(4-ethylpiperazin-1-yl)-3-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-(4-ethylpiperazin-1-yl)-3-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0117 |
| Compound Name: | 4-(4-ethylpiperazin-1-yl)-3-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 533.52 |
| Molecular Formula: | C20 H25 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCN1CCN(CC1)c1ccc(cc1NS(c1ccc(cc1)OC)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1005 |
| logD: | 3.1005 |
| logSw: | -3.4898 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.83 |
| InChI Key: | KDBOGGOJPXWLRW-UHFFFAOYSA-N |