N-[3-(methylsulfanyl)phenyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
N-[3-(methylsulfanyl)phenyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C909-0424 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 401.52 |
| Molecular Formula: | C19 H15 N O3 S3 |
| Smiles: | CSc1cccc(c1)NC(c1cc2CS(c3ccccc3c2s1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3502 |
| logD: | 4.3502 |
| logSw: | -4.3817 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.523 |
| InChI Key: | GYGQHCNXRCSRLX-UHFFFAOYSA-N |