5-[1-(furan-2-carbonyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(furan-2-carbonyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(furan-2-carbonyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
Compound ID: | S383-2101 |
Compound Name: | 5-[1-(furan-2-carbonyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
Molecular Weight: | 338.36 |
Molecular Formula: | C18 H18 N4 O3 |
Smiles: | C1CN(CCC1C1=NNC(N1c1ccccc1)=O)C(c1ccco1)=O |
Stereo: | ACHIRAL |
logP: | 2.1032 |
logD: | 2.08 |
logSw: | -2.4707 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.362 |
InChI Key: | WIMXGOLHGXWLCM-UHFFFAOYSA-N |