5-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-1713 |
| Compound Name: | 5-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 382.42 |
| Molecular Formula: | C20 H22 N4 O4 |
| Smiles: | COc1ccc(CN2C(C3CCN(CC3)C(c3ccco3)=O)=NNC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6828 |
| logD: | 2.6822 |
| logSw: | -2.8003 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.518 |
| InChI Key: | WONRWGOAAVOILU-UHFFFAOYSA-N |