6-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
6-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione
6-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | F486-1050 |
| Compound Name: | 6-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-2-(4-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C20 H22 N6 O4 |
| Smiles: | Cc1ccc(cc1)N1C(N(C)C(C(c2nc(C(N3CCCCCC3)=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8466 |
| logD: | 2.8466 |
| logSw: | -3.1331 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.939 |
| InChI Key: | WTSVUDKZFKBSOZ-UHFFFAOYSA-N |