1-methyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
1-methyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
1-methyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-1666 |
| Compound Name: | 1-methyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C22 H17 N3 O3 S |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)NC(c1c2CSc3ccccc3c2n(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3319 |
| logD: | 3.3297 |
| logSw: | -4.0293 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.06 |
| InChI Key: | DVAPAQDZXSIENO-UHFFFAOYSA-N |