N-(3-chloro-2-methylphenyl)-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}propanamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-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}propanamide
N-(3-chloro-2-methylphenyl)-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}propanamide
Compound characteristics
| Compound ID: | F506-0894 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-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}propanamide |
| Molecular Weight: | 480.91 |
| Molecular Formula: | C23 H21 Cl N6 O4 |
| Smiles: | Cc1ccc(cc1)N1C(N(C)C(C(c2nc(CCC(Nc3cccc(c3C)[Cl])=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0166 |
| logD: | 4.0161 |
| logSw: | -4.1614 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.805 |
| InChI Key: | NWFUELKRXLBCMC-UHFFFAOYSA-N |