methyl 4-(3-{4-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]phenyl}-1,2,4-oxadiazol-5-yl)benzoate
Chemical Structure Depiction of
methyl 4-(3-{4-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]phenyl}-1,2,4-oxadiazol-5-yl)benzoate
methyl 4-(3-{4-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]phenyl}-1,2,4-oxadiazol-5-yl)benzoate
Compound characteristics
| Compound ID: | D041-0238 |
| Compound Name: | methyl 4-(3-{4-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]phenyl}-1,2,4-oxadiazol-5-yl)benzoate |
| Molecular Weight: | 448.39 |
| Molecular Formula: | C21 H16 N6 O6 |
| Smiles: | COC(c1ccc(cc1)c1nc(c2ccc(cc2)NC(Cn2cc(cn2)[N+]([O-])=O)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6548 |
| logD: | 3.6548 |
| logSw: | -3.8118 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 123.854 |
| InChI Key: | ZQYCZNVKVTYZNM-UHFFFAOYSA-N |