3-(2H-1,3-benzodioxol-5-yl)-5-{1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazol-5-yl}-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5-{1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazol-5-yl}-1,2,4-oxadiazole
3-(2H-1,3-benzodioxol-5-yl)-5-{1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazol-5-yl}-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | 8018-7463 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-{1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazol-5-yl}-1,2,4-oxadiazole |
| Molecular Weight: | 405.37 |
| Molecular Formula: | C20 H15 N5 O5 |
| Smiles: | Cc1ccc(Cn2c(cc(n2)[N+]([O-])=O)c2nc(c3ccc4c(c3)OCO4)no2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2586 |
| logD: | 4.2586 |
| logSw: | -4.4135 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 94.563 |
| InChI Key: | YRTBKSCQHRIMJU-UHFFFAOYSA-N |