2-[(benzenesulfonyl)amino]-5-{4-[2-(morpholin-4-yl)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(benzenesulfonyl)amino]-5-{4-[2-(morpholin-4-yl)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
2-[(benzenesulfonyl)amino]-5-{4-[2-(morpholin-4-yl)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0085 |
| Compound Name: | 2-[(benzenesulfonyl)amino]-5-{4-[2-(morpholin-4-yl)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 602.59 |
| Molecular Formula: | C23 H28 N4 O6 S |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1CC(N1CCOCC1)=O)c1ccc(c(c1)C(O)=O)NS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9163 |
| logD: | -2.9685 |
| logSw: | -2.6325 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.892 |
| InChI Key: | FCUCVJFGUPUHNR-UHFFFAOYSA-N |