3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-{3-[methyl(phenyl)amino]propyl}-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-{3-[methyl(phenyl)amino]propyl}-1,2,4-oxadiazole-5-carboxamide
3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-{3-[methyl(phenyl)amino]propyl}-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | F486-0831 |
| Compound Name: | 3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-{3-[methyl(phenyl)amino]propyl}-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 479.47 |
| Molecular Formula: | C23 H22 F N7 O4 |
| Smiles: | CN(CCCNC(c1nc(C2C(N(C)C(N(c3ccc(cc3)F)N=2)=O)=O)no1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.218 |
| logD: | 2.213 |
| logSw: | -2.7588 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.419 |
| InChI Key: | NTXQHRFGZFNRSW-UHFFFAOYSA-N |