2,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
2,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0040 |
| Compound Name: | 2,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 591.6 |
| Molecular Formula: | C23 H31 N3 O6 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(c(c1)S(N(CCC(N1CCNCC1)=O)Cc1ccccc1OC)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.5214 |
| logD: | 0.6934 |
| logSw: | -2.5608 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.478 |
| InChI Key: | HJYGLGNQLRTXQO-UHFFFAOYSA-N |