2-[(2-methylbenzene-1-sulfonyl)amino]-5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(2-methylbenzene-1-sulfonyl)amino]-5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
2-[(2-methylbenzene-1-sulfonyl)amino]-5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0441 |
| Compound Name: | 2-[(2-methylbenzene-1-sulfonyl)amino]-5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 588.6 |
| Molecular Formula: | C23 H30 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCNC(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NS(c1ccccc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5765 |
| logD: | -1.3083 |
| logSw: | -3.0878 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.176 |
| InChI Key: | HPSLGXYOYQKZNH-UHFFFAOYSA-N |