3-(5-bromofuran-2-yl)-5-{4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(5-bromofuran-2-yl)-5-{4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-1,2,4-oxadiazole
3-(5-bromofuran-2-yl)-5-{4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | 8018-1974 |
| Compound Name: | 3-(5-bromofuran-2-yl)-5-{4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-1,2,4-oxadiazole |
| Molecular Weight: | 430.22 |
| Molecular Formula: | C17 H12 Br N5 O4 |
| Smiles: | Cc1cc(nn1Cc1ccc(cc1)c1nc(c2ccc(o2)[Br])no1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5508 |
| logD: | 3.5508 |
| logSw: | -3.6012 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.344 |
| InChI Key: | HIYXJBQARJSJDK-UHFFFAOYSA-N |