7-chloro-5,5-dioxo-N-[4-(propan-2-yl)phenyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
7-chloro-5,5-dioxo-N-[4-(propan-2-yl)phenyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
7-chloro-5,5-dioxo-N-[4-(propan-2-yl)phenyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C918-0073 |
| Compound Name: | 7-chloro-5,5-dioxo-N-[4-(propan-2-yl)phenyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 431.96 |
| Molecular Formula: | C21 H18 Cl N O3 S2 |
| Smiles: | CC(C)c1ccc(cc1)NC(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8753 |
| logD: | 5.8753 |
| logSw: | -6.1026 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.523 |
| InChI Key: | RGFAVJFXHLEQSW-UHFFFAOYSA-N |