2-[(benzenesulfonyl)amino]-5-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(benzenesulfonyl)amino]-5-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
2-[(benzenesulfonyl)amino]-5-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0086 |
| Compound Name: | 2-[(benzenesulfonyl)amino]-5-{4-[2-(diethylamino)-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: | CCN(CC)C(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NS(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9556 |
| logD: | -1.9293 |
| logSw: | -2.9687 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.268 |
| InChI Key: | HNRLKXOXZFNFAJ-UHFFFAOYSA-N |