3-(2H-1,3-benzodioxol-5-yl)-5-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propyl]-1,2,4-oxadiazole
3-(2H-1,3-benzodioxol-5-yl)-5-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propyl]-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | 8017-7769 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propyl]-1,2,4-oxadiazole |
| Molecular Weight: | 371.35 |
| Molecular Formula: | C17 H17 N5 O5 |
| Smiles: | Cc1c(c(C)n(CCCc2nc(c3ccc4c(c3)OCO4)no2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7562 |
| logD: | 2.7562 |
| logSw: | -3.1453 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 95.737 |
| InChI Key: | CVBPLDIEHWWRQK-UHFFFAOYSA-N |