2-methyl-4-(propan-2-yl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-4-(propan-2-yl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-4-(propan-2-yl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1242 |
| Compound Name: | 2-methyl-4-(propan-2-yl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 334.44 |
| Molecular Formula: | C16 H22 N4 O2 S |
| Smiles: | CC(C)N1C(C2CCN(CC2)C(c2cccs2)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.5065 |
| logD: | 2.5003 |
| logSw: | -2.3638 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.755 |
| InChI Key: | CIVYZFXRVCIWOY-UHFFFAOYSA-N |