5-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | P940-4504 |
| Compound Name: | 5-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C16 H22 N4 O3 |
| Smiles: | CC(C)N1C(C2CCCN(C2)C(c2ccco2)=O)=NN(C)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8231 |
| logD: | 1.8207 |
| logSw: | -1.6843 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.249 |
| InChI Key: | NJYYYWIZIOXAEA-LBPRGKRZSA-N |