N-(4-bromo-2-methylphenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
N-(4-bromo-2-methylphenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C909-0274 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 448.36 |
| Molecular Formula: | C19 H14 Br N O3 S2 |
| Smiles: | Cc1cc(ccc1NC(c1cc2CS(c3ccccc3c2s1)(=O)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.9057 |
| logD: | 4.9055 |
| logSw: | -4.6006 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.825 |
| InChI Key: | XYKSSFLSCUNRGO-UHFFFAOYSA-N |