2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazol-3-yl}-1,3,4-oxadiazole
Chemical Structure Depiction of
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazol-3-yl}-1,3,4-oxadiazole
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazol-3-yl}-1,3,4-oxadiazole
Compound characteristics
| Compound ID: | 8020-3731 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazol-3-yl}-1,3,4-oxadiazole |
| Molecular Weight: | 396.32 |
| Molecular Formula: | C17 H12 N6 O6 |
| Smiles: | C(c1cc(c2nnc(c3ccc4c(c3)OCCO4)o2)no1)n1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1438 |
| logD: | 1.1438 |
| logSw: | -1.9947 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 115.17 |
| InChI Key: | IEQZDUPGOKPNSQ-UHFFFAOYSA-N |