N-[4-(propan-2-yl)phenyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[4-(propan-2-yl)phenyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-[4-(propan-2-yl)phenyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E213-0087 |
| Compound Name: | N-[4-(propan-2-yl)phenyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 349.45 |
| Molecular Formula: | C20 H19 N3 O S |
| Smiles: | CC(C)c1ccc(cc1)NC(c1c2CSc3ccccc3c2[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9465 |
| logD: | 4.9465 |
| logSw: | -4.5723 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.372 |
| InChI Key: | IDMSJLANSWBOQG-UHFFFAOYSA-N |