ethyl 1-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carbonyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carbonyl}piperidine-4-carboxylate
ethyl 1-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carbonyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | F486-1047 |
| Compound Name: | ethyl 1-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carbonyl}piperidine-4-carboxylate |
| Molecular Weight: | 468.47 |
| Molecular Formula: | C22 H24 N6 O6 |
| Smiles: | CCOC(C1CCN(CC1)C(c1nc(C2C(N(C)C(N(c3ccc(C)cc3)N=2)=O)=O)no1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2632 |
| logD: | 2.2632 |
| logSw: | -2.4952 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 111.362 |
| InChI Key: | MTXGSRPMRICGCH-UHFFFAOYSA-N |