3-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]propanamide
Chemical Structure Depiction of
3-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]propanamide
3-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | F506-0818 |
| Compound Name: | 3-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]propanamide |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C21 H20 N6 O4 S |
| Smiles: | Cc1ccc(cc1)N1C(N(C)C(C(c2nc(CCC(NCc3cccs3)=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8845 |
| logD: | 2.8845 |
| logSw: | -3.3654 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.843 |
| InChI Key: | IXYWLCMXJJXYOP-UHFFFAOYSA-N |