4-ethoxy-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-ethoxy-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-ethoxy-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0878 |
| Compound Name: | 4-ethoxy-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 545.58 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCOc1ccc(cc1)S(N(CC(N1CCNCC1)=O)Cc1cccc(C)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4466 |
| logD: | 1.8871 |
| logSw: | -2.8567 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.819 |
| InChI Key: | FQTKLXBZVMGEKW-UHFFFAOYSA-N |