5,5-dioxo-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
5,5-dioxo-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
5,5-dioxo-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C909-0272 |
| Compound Name: | 5,5-dioxo-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 445.51 |
| Molecular Formula: | C21 H19 N O6 S2 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(c1cc2CS(c3ccccc3c2s1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2698 |
| logD: | 3.2696 |
| logSw: | -3.728 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.501 |
| InChI Key: | FTUPWYSCBLATJS-UHFFFAOYSA-N |