3-{3-[2-(4-chlorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(3-methylbutyl)propanamide
Chemical Structure Depiction of
3-{3-[2-(4-chlorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(3-methylbutyl)propanamide
3-{3-[2-(4-chlorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(3-methylbutyl)propanamide
Compound characteristics
| Compound ID: | F506-0936 |
| Compound Name: | 3-{3-[2-(4-chlorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-(3-methylbutyl)propanamide |
| Molecular Weight: | 446.89 |
| Molecular Formula: | C20 H23 Cl N6 O4 |
| Smiles: | CC(C)CCNC(CCc1nc(C2C(N(C)C(N(c3ccc(cc3)[Cl])N=2)=O)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9484 |
| logD: | 2.9484 |
| logSw: | -3.618 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.938 |
| InChI Key: | RSRUJUPCJPXKKD-UHFFFAOYSA-N |