5-[1-(1,4-dihydro[1]benzopyrano[4,3-c]pyrazole-3-carbonyl)piperidin-4-yl]-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(1,4-dihydro[1]benzopyrano[4,3-c]pyrazole-3-carbonyl)piperidin-4-yl]-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(1,4-dihydro[1]benzopyrano[4,3-c]pyrazole-3-carbonyl)piperidin-4-yl]-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1320 |
| Compound Name: | 5-[1-(1,4-dihydro[1]benzopyrano[4,3-c]pyrazole-3-carbonyl)piperidin-4-yl]-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 422.49 |
| Molecular Formula: | C22 H26 N6 O3 |
| Smiles: | CC(C)N1C(C2CCN(CC2)C(c2c3COc4ccccc4c3[nH]n2)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.5484 |
| logD: | 2.5422 |
| logSw: | -2.9342 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.228 |
| InChI Key: | UTWUHQJSRBVWOQ-UHFFFAOYSA-N |