1,8-dimethyl-N-[3-(methylsulfanyl)phenyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
1,8-dimethyl-N-[3-(methylsulfanyl)phenyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
1,8-dimethyl-N-[3-(methylsulfanyl)phenyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-0567 |
| Compound Name: | 1,8-dimethyl-N-[3-(methylsulfanyl)phenyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 381.52 |
| Molecular Formula: | C20 H19 N3 O S2 |
| Smiles: | Cc1ccc2c(c1)c1c(CS2)c(C(Nc2cccc(c2)SC)=O)nn1C |
| Stereo: | ACHIRAL |
| logP: | 4.415 |
| logD: | 4.415 |
| logSw: | -4.3389 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.653 |
| InChI Key: | BPASYGHXUWEXBB-UHFFFAOYSA-N |