1-{4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}-2-(3-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}-2-(3-methylphenyl)ethan-1-one
1-{4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}-2-(3-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S454-0163 |
| Compound Name: | 1-{4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}-2-(3-methylphenyl)ethan-1-one |
| Molecular Weight: | 366.42 |
| Molecular Formula: | C19 H22 N6 O2 |
| Smiles: | Cc1cccc(CC(N2CCC(CC2)n2cc(c3nc(C)no3)nn2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.4266 |
| logD: | 2.4266 |
| logSw: | -2.4088 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.656 |
| InChI Key: | HLFRACUAGQEMOJ-UHFFFAOYSA-N |