5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}-2-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}-2-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}-2-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0462 |
| Compound Name: | 5-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}-2-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 604.6 |
| Molecular Formula: | C23 H30 N4 O6 S |
| Salt: | CF3COOH |
| Smiles: | CCOc1ccc(cc1)S(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(N(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4764 |
| logD: | -2.4084 |
| logSw: | -2.6722 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.46 |
| InChI Key: | HQEAKEVSEBQTMW-UHFFFAOYSA-N |