N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | 8017-3327 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 434.25 |
| Molecular Formula: | C17 H16 Br N5 O4 |
| Smiles: | Cc1c(c(C)n(Cc2nc(C(NCc3ccc4c(c3)OCO4)=O)on2)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.8647 |
| logD: | 1.8647 |
| logSw: | -2.5676 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.988 |
| InChI Key: | TTWXQFVGBLLZEJ-UHFFFAOYSA-N |