3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0205 |
| Compound Name: | 3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 607.56 |
| Molecular Formula: | C22 H27 N3 O8 S |
| Salt: | CF3COOH |
| Smiles: | CCOC(N1CCN(CC1)c1ccc(cc1NS(c1cc(ccc1OC)OC)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3195 |
| logD: | 1.0816 |
| logSw: | -3.6427 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.704 |
| InChI Key: | HSKSANMMBHZVPN-UHFFFAOYSA-N |