7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C918-0020 |
| Compound Name: | 7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 447.91 |
| Molecular Formula: | C20 H14 Cl N O5 S2 |
| Smiles: | C1COc2cc(ccc2O1)NC(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5096 |
| logD: | 3.5096 |
| logSw: | -3.9166 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.346 |
| InChI Key: | VNNHTJOVWQQPEY-UHFFFAOYSA-N |