7-chloro-N-(2-methoxy-5-nitrophenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
7-chloro-N-(2-methoxy-5-nitrophenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
7-chloro-N-(2-methoxy-5-nitrophenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C918-0060 |
| Compound Name: | 7-chloro-N-(2-methoxy-5-nitrophenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 464.9 |
| Molecular Formula: | C19 H13 Cl N2 O6 S2 |
| Smiles: | COc1ccc(cc1NC(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3268 |
| logD: | 4.3098 |
| logSw: | -4.6423 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.837 |
| InChI Key: | ACHVMYZYLSPURW-UHFFFAOYSA-N |