7-chloro-5,5-dioxo-N-[(pyridin-3-yl)methyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
7-chloro-5,5-dioxo-N-[(pyridin-3-yl)methyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
7-chloro-5,5-dioxo-N-[(pyridin-3-yl)methyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C918-0052 |
| Compound Name: | 7-chloro-5,5-dioxo-N-[(pyridin-3-yl)methyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 404.89 |
| Molecular Formula: | C18 H13 Cl N2 O3 S2 |
| Smiles: | C(c1cccnc1)NC(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8976 |
| logD: | 2.8975 |
| logSw: | -3.7877 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.363 |
| InChI Key: | QQWCXKRESKWDQE-UHFFFAOYSA-N |