4-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0466 |
| Compound Name: | 4-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 545.58 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1)S(N(CCC(N1CCNCC1)=O)CCc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.844 |
| logD: | 1.016 |
| logSw: | -2.4263 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.196 |
| InChI Key: | SZDFBZTUIVRGQS-UHFFFAOYSA-N |