2-[(benzenesulfonyl)amino]-5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(benzenesulfonyl)amino]-5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
2-[(benzenesulfonyl)amino]-5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0079 |
| Compound Name: | 2-[(benzenesulfonyl)amino]-5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 588.6 |
| Molecular Formula: | C23 H30 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCCNC(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NS(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8151 |
| logD: | -1.0697 |
| logSw: | -3.4555 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.176 |
| InChI Key: | GWADMLCRFYEMCF-UHFFFAOYSA-N |