3,4-dimethoxy-N-[(oxolan-2-yl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3,4-dimethoxy-N-[(oxolan-2-yl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
3,4-dimethoxy-N-[(oxolan-2-yl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0360 |
| Compound Name: | 3,4-dimethoxy-N-[(oxolan-2-yl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 541.54 |
| Molecular Formula: | C19 H29 N3 O6 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1OC)S(N(CC1CCCO1)CC(N1CCNCC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.3881 |
| logD: | -0.9476 |
| logSw: | -2.3455 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.611 |
| InChI Key: | ZKKGYTKUCPEGCP-OAHLLOKOSA-N |