5-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2385 |
| Compound Name: | 5-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C22 H22 N6 O2 |
| Smiles: | Cc1ccc(cc1)N1C(C2CCN(CC2)C(c2c3ccccc3[nH]n2)=O)=NNC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.2533 |
| logD: | 3.23 |
| logSw: | -3.1803 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.031 |
| InChI Key: | YBOCUWVSKPBBKP-UHFFFAOYSA-N |