2,5-dimethoxy-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2,5-dimethoxy-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
2,5-dimethoxy-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0867 |
| Compound Name: | 2,5-dimethoxy-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 561.58 |
| Molecular Formula: | C22 H29 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(CN(CC(N2CCNCC2)=O)S(c2cc(ccc2OC)OC)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.8983 |
| logD: | 1.3388 |
| logSw: | -2.7702 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.87 |
| InChI Key: | ZOKXPUWXIBTGOL-UHFFFAOYSA-N |