2-methyl-5-[1-(oxane-4-carbonyl)piperidin-3-yl]-4-phenyl-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-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-5-[1-(oxane-4-carbonyl)piperidin-3-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | P940-4642 |
| Compound Name: | 2-methyl-5-[1-(oxane-4-carbonyl)piperidin-3-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C20 H26 N4 O3 |
| Smiles: | CN1C(N(C(C2CCCN(C2)C(C2CCOCC2)=O)=N1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0075 |
| logD: | 2.0074 |
| logSw: | -1.9996 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.167 |
| InChI Key: | XXSXVOKHIUUFDW-INIZCTEOSA-N |