N-(4-bromo-2-methylphenyl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-(4-bromo-2-methylphenyl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E213-0024 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 400.29 |
| Molecular Formula: | C18 H14 Br N3 O S |
| Smiles: | Cc1cc(ccc1NC(c1c2CSc3ccccc3c2[nH]n1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6248 |
| logD: | 4.6219 |
| logSw: | -4.4305 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.674 |
| InChI Key: | JEMDGEIBGXXECZ-UHFFFAOYSA-N |