ethyl 1-[3-(4-ethyl-3,5-dioxo-2-phenyl-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-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazole-5-carbonyl]piperidine-4-carboxylate
ethyl 1-[3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazole-5-carbonyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | F486-0028 |
| Compound Name: | ethyl 1-[3-(4-ethyl-3,5-dioxo-2-phenyl-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: | [H]c1ccc(cc1)N1C(N(CC)C(C(c2nc(C(N3CCC(CC3)C(=O)OCC)=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9368 |
| logD: | 1.9368 |
| logSw: | -2.2141 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 111.321 |
| InChI Key: | CASPQBJDDMCRLG-UHFFFAOYSA-N |