N-{4-[5-(3-chloro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-{4-[5-(3-chloro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(4-nitro-1H-pyrazol-1-yl)acetamide
N-{4-[5-(3-chloro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8017-9604 |
| Compound Name: | N-{4-[5-(3-chloro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(4-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 480.89 |
| Molecular Formula: | C21 H13 Cl N6 O4 S |
| Smiles: | C(C(Nc1ccc(cc1)c1nc(c2c(c3ccccc3s2)[Cl])on1)=O)n1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1432 |
| logD: | 5.1432 |
| logSw: | -5.6882 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.427 |
| InChI Key: | JWKLQFCWQIZSMX-UHFFFAOYSA-N |