ethyl 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-carboxylate
Chemical Structure Depiction of
ethyl 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-carboxylate
ethyl 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-carboxylate
Compound characteristics
| Compound ID: | C066-5447 |
| Compound Name: | ethyl 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-carboxylate |
| Molecular Weight: | 357.32 |
| Molecular Formula: | C16 H15 N5 O5 |
| Smiles: | CCOC(c1nc(C2C(N(C)C(N(c3ccc(C)cc3)N=2)=O)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3245 |
| logD: | 2.3245 |
| logSw: | -2.5401 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 94.713 |
| InChI Key: | RKBDBYCASADASR-UHFFFAOYSA-N |