7-chloro-5,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
7-chloro-5,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
7-chloro-5,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C918-0129 |
| Compound Name: | 7-chloro-5,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 438.95 |
| Molecular Formula: | C19 H19 Cl N2 O4 S2 |
| Smiles: | C1CC(N(C1)CCCNC(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9491 |
| logD: | 1.9491 |
| logSw: | -3.1878 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.199 |
| InChI Key: | XJODEQTVPCWXBU-UHFFFAOYSA-N |