1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
Chemical Structure Depiction of
1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
Compound characteristics
| Compound ID: | T501-1345 |
| Compound Name: | 1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C27 H30 N6 O2 |
| Smiles: | Cc1cccc(c1)c1nc(CCC(N2CCCC(Cc3nncn3Cc3ccccc3)C2)=O)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1474 |
| logD: | 4.1474 |
| logSw: | -4.3723 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.697 |
| InChI Key: | DPYMGIFDFFQOPM-JOCHJYFZSA-N |