4-bromo-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-bromo-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide
4-bromo-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | F482-1435 |
| Compound Name: | 4-bromo-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide |
| Molecular Weight: | 594.45 |
| Molecular Formula: | C21 H26 Br N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(CN(CCC(N2CCNCC2)=O)S(c2ccc(cc2)[Br])(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0972 |
| logD: | 2.2692 |
| logSw: | -3.4422 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.674 |
| InChI Key: | MDAGPFSZKWKUGY-UHFFFAOYSA-N |