N-[(3-methoxyphenyl)methyl]-3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(3-methoxyphenyl)methyl]-3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0678 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 545.58 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)S(N(CCC(N1CCNCC1)=O)Cc1cccc(c1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0969 |
| logD: | 1.2689 |
| logSw: | -2.8525 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.218 |
| InChI Key: | JBLNQDWCAHVGNO-UHFFFAOYSA-N |