6-{5-[3-(azepan-1-yl)-3-oxopropyl]-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-[3-(azepan-1-yl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl}-4-methyl-2-(4-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione
6-{5-[3-(azepan-1-yl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl}-4-methyl-2-(4-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | F506-0767 |
| Compound Name: | 6-{5-[3-(azepan-1-yl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl}-4-methyl-2-(4-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 438.49 |
| Molecular Formula: | C22 H26 N6 O4 |
| Smiles: | Cc1ccc(cc1)N1C(N(C)C(C(c2nc(CCC(N3CCCCCC3)=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9982 |
| logD: | 2.9982 |
| logSw: | -3.2068 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.077 |
| InChI Key: | QETDSBDBXJOXND-UHFFFAOYSA-N |