3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[3-(4-ethylpiperazin-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-(4-ethylpiperazin-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-(4-ethylpiperazin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | F486-0897 |
| Compound Name: | 3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-[3-(4-ethylpiperazin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 496.57 |
| Molecular Formula: | C24 H32 N8 O4 |
| Smiles: | CCN1CCN(CCCNC(c2nc(C3C(N(CC)C(N(c4ccc(C)cc4)N=3)=O)=O)no2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.4359 |
| logD: | 0.4877 |
| logSw: | -2.1057 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.693 |
| InChI Key: | AJVFRLQSBXJBHF-UHFFFAOYSA-N |