7-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
7-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
7-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C918-0189 |
| Compound Name: | 7-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 425.93 |
| Molecular Formula: | C16 H12 Cl N3 O3 S3 |
| Smiles: | CCc1nnc(NC(c2cc3CS(c4cc(ccc4c3s2)[Cl])(=O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.228 |
| logD: | 4.1869 |
| logSw: | -4.4739 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.563 |
| InChI Key: | HWXXKPIAJOJHHJ-UHFFFAOYSA-N |