6-{[4-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl}-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
6-{[4-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl}-1,2,4-triazine-3,5(2H,4H)-dione
6-{[4-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl}-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | F076-0466 |
| Compound Name: | 6-{[4-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl}-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 360.28 |
| Molecular Formula: | C14 H12 N6 O6 |
| Smiles: | CC(N1C(c2cccc(c2)[N+]([O-])=O)OC(CC2C(NC(NN=2)=O)=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4528 |
| logD: | 0.4257 |
| logSw: | -2.1512 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 129.35 |
| InChI Key: | CUDYCQAXIUNQMQ-ZDUSSCGKSA-N |