1-methyl-N-[2-(4-methylphenyl)ethyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
1-methyl-N-[2-(4-methylphenyl)ethyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
1-methyl-N-[2-(4-methylphenyl)ethyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-1647 |
| Compound Name: | 1-methyl-N-[2-(4-methylphenyl)ethyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 363.48 |
| Molecular Formula: | C21 H21 N3 O S |
| Smiles: | Cc1ccc(CCNC(c2c3CSc4ccccc4c3n(C)n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3178 |
| logD: | 3.3178 |
| logSw: | -3.8605 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.816 |
| InChI Key: | LGAFDRDNMVHYIH-UHFFFAOYSA-N |