2-methyl-5-[1-(oxane-4-carbonyl)piperidin-3-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-5-[1-(oxane-4-carbonyl)piperidin-3-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-5-[1-(oxane-4-carbonyl)piperidin-3-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | P940-4505 |
| Compound Name: | 2-methyl-5-[1-(oxane-4-carbonyl)piperidin-3-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 336.43 |
| Molecular Formula: | C17 H28 N4 O3 |
| Smiles: | CC(C)N1C(C2CCCN(C2)C(C2CCOCC2)=O)=NN(C)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6652 |
| logD: | 1.6629 |
| logSw: | -1.662 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.771 |
| InChI Key: | YIMOPINXNACYPL-AWEZNQCLSA-N |