7-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
7-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
7-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C918-0078 |
| Compound Name: | 7-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 467.05 |
| Molecular Formula: | C22 H27 Cl N2 O3 S2 |
| Smiles: | CC1CC(C)CN(CCCNC(c2cc3CS(c4cc(ccc4c3s2)[Cl])(=O)=O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2673 |
| logD: | 1.7204 |
| logSw: | -4.391 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.536 |
| InChI Key: | HHEKFEMUMSSHGT-UHFFFAOYSA-N |