3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[3-(pyrrolidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[3-(pyrrolidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[3-(pyrrolidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | F486-0898 |
| Compound Name: | 3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[3-(pyrrolidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 453.5 |
| Molecular Formula: | C22 H27 N7 O4 |
| Smiles: | CCN1C(C(c2nc(C(NCCCN3CCCC3)=O)on2)=NN(C1=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9205 |
| logD: | -1.112 |
| logSw: | -2.4577 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.522 |
| InChI Key: | PJZVPVIBIWIMTL-UHFFFAOYSA-N |