N-{1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl}-3-nitrobenzamide
N-{1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V029-2086 |
| Compound Name: | N-{1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl}-3-nitrobenzamide |
| Molecular Weight: | 414.85 |
| Molecular Formula: | C20 H19 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCC(C)C(c1nc(c2ccc(cc2)[Cl])no1)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7066 |
| logD: | 5.7065 |
| logSw: | -6.024 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.063 |
| InChI Key: | CGTMSSSFRKEVCU-UHFFFAOYSA-N |