4-methoxy-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-methoxy-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-methoxy-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0861 |
| Compound Name: | 4-methoxy-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 531.55 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(CN(CC(N2CCNCC2)=O)S(c2ccc(cc2)OC)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.06 |
| logD: | 1.5005 |
| logSw: | -2.8386 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.239 |
| InChI Key: | GSFVHSPXHNFQBF-UHFFFAOYSA-N |