ethyl 4-{3-[3-(4-methyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazol-5-yl]propanamido}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[3-(4-methyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazol-5-yl]propanamido}benzoate
ethyl 4-{3-[3-(4-methyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazol-5-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | F506-0289 |
| Compound Name: | ethyl 4-{3-[3-(4-methyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazol-5-yl]propanamido}benzoate |
| Molecular Weight: | 490.47 |
| Molecular Formula: | C24 H22 N6 O6 |
| Smiles: | [H]c1ccc(cc1)N1C(N(C)C(C(c2nc(CCC(Nc3ccc(cc3)C(=O)OCC)=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2657 |
| logD: | 3.2655 |
| logSw: | -3.4348 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.257 |
| InChI Key: | DSIBVBYRXCDQST-UHFFFAOYSA-N |