N-(2-bromo-4-methylphenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
N-(2-bromo-4-methylphenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C909-0259 |
| Compound Name: | N-(2-bromo-4-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: | Cc1ccc(c(c1)[Br])NC(c1cc2CS(c3ccccc3c2s1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8689 |
| logD: | 4.8689 |
| logSw: | -4.5802 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.825 |
| InChI Key: | FHAOUNIPIJCTII-UHFFFAOYSA-N |