N-[(4-methylphenyl)methyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
N-[(4-methylphenyl)methyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C909-0426 |
| Compound Name: | N-[(4-methylphenyl)methyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C20 H17 N O3 S2 |
| Smiles: | Cc1ccc(CNC(c2cc3CS(c4ccccc4c3s2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9009 |
| logD: | 3.9009 |
| logSw: | -3.9186 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.845 |
| InChI Key: | MGURFFOZSCKJOH-UHFFFAOYSA-N |