3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-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-[2-(4-methylpiperazin-1-yl)ethyl]-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-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | F486-0787 |
| Compound Name: | 3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 458.45 |
| Molecular Formula: | C20 H23 F N8 O4 |
| Smiles: | CN1CCN(CCNC(c2nc(C3C(N(C)C(N(c4ccc(cc4)F)N=3)=O)=O)no2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.3551 |
| logD: | -0.3124 |
| logSw: | -1.6603 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.673 |
| InChI Key: | JTIUKWFVANBSOP-UHFFFAOYSA-N |