3-[benzyl(methyl)amino]-6-bromo-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
3-[benzyl(methyl)amino]-6-bromo-4H-1-benzothiopyran-4-one
3-[benzyl(methyl)amino]-6-bromo-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G617-0327 |
| Compound Name: | 3-[benzyl(methyl)amino]-6-bromo-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 360.27 |
| Molecular Formula: | C17 H14 Br N O S |
| Smiles: | CN(Cc1ccccc1)C1=CSc2ccc(cc2C1=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.0106 |
| logD: | 5.0106 |
| logSw: | -4.6391 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 15.987 |
| InChI Key: | ZETNVZMADFUDSG-UHFFFAOYSA-N |