N-(4-bromo-2-methylphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-(4-bromo-2-methylphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | E213-1242 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 376.27 |
| Molecular Formula: | C17 H14 Br N O2 S |
| Smiles: | Cc1cc(ccc1NC(c1cccc2C(CCSc12)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.0473 |
| logD: | 4.0329 |
| logSw: | -4.179 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.8 |
| InChI Key: | NZDTWPFWHRVRTF-UHFFFAOYSA-N |