3-(2H-1,3-benzodioxol-5-yl)-5-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole
3-(2H-1,3-benzodioxol-5-yl)-5-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | 8017-7007 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole |
| Molecular Weight: | 408.17 |
| Molecular Formula: | C14 H10 Br N5 O5 |
| Smiles: | Cc1c(c(nn1Cc1nc(c2ccc3c(c2)OCO3)no1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.9997 |
| logD: | 2.9997 |
| logSw: | -3.2744 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 95.716 |
| InChI Key: | DNNBDOHQMYTRHH-UHFFFAOYSA-N |