1-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
1-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
1-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-1698 |
| Compound Name: | 1-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 395.54 |
| Molecular Formula: | C21 H21 N3 O S2 |
| Smiles: | Cn1c2c3ccccc3SCc2c(C(NCCc2ccc(cc2)SC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6138 |
| logD: | 3.6138 |
| logSw: | -3.9346 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.816 |
| InChI Key: | LPRNGMIJRICPOI-UHFFFAOYSA-N |