1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E207-1361 |
| Compound Name: | 1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | CC1CCN(CCCNC(c2c3CS(c4ccccc4c3n(C)n2)(=O)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.5913 |
| logD: | -0.8689 |
| logSw: | -2.462 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.324 |
| InChI Key: | HBPNWRGQTPXNSS-UHFFFAOYSA-N |