4-(4-ethylpiperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(4-ethylpiperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-(4-ethylpiperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0128 |
| Compound Name: | 4-(4-ethylpiperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 509.52 |
| Molecular Formula: | C17 H21 N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | CCN1CCN(CC1)c1ccc(cc1NS(c1cccs1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8811 |
| logD: | 2.8811 |
| logSw: | -3.3327 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.305 |
| InChI Key: | HNWVSQSEVPSJEC-UHFFFAOYSA-N |