3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-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-[2-(2-methylpiperidin-1-yl)ethyl]-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-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | F486-1180 |
| Compound Name: | 3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 453.5 |
| Molecular Formula: | C22 H27 N7 O4 |
| Smiles: | CC1CCCCN1CCNC(c1nc(C2C(N(C)C(N(c3ccc(C)cc3)N=2)=O)=O)no1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0008 |
| logD: | 0.1297 |
| logSw: | -2.5478 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.647 |
| InChI Key: | KCVBCJOLYUFDQK-HNNXBMFYSA-N |