3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[1-(morpholin-4-yl)butan-2-yl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[1-(morpholin-4-yl)butan-2-yl]-1,2,4-oxadiazole-5-carboxamide
3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[1-(morpholin-4-yl)butan-2-yl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | F486-1207 |
| Compound Name: | 3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[1-(morpholin-4-yl)butan-2-yl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 469.5 |
| Molecular Formula: | C22 H27 N7 O5 |
| Smiles: | CCC(CN1CCOCC1)NC(c1nc(C2C(N(C)C(N(c3ccc(C)cc3)N=2)=O)=O)no1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9827 |
| logD: | 1.9255 |
| logSw: | -2.4121 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.194 |
| InChI Key: | KSKCJRBUVPRUER-HNNXBMFYSA-N |