2-chloro-N-{2-methyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}benzamide
Chemical Structure Depiction of
2-chloro-N-{2-methyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}benzamide
2-chloro-N-{2-methyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}benzamide
Compound characteristics
| Compound ID: | V029-1633 |
| Compound Name: | 2-chloro-N-{2-methyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}benzamide |
| Molecular Weight: | 414.85 |
| Molecular Formula: | C20 H19 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCC(C)C(c1nc(c2cccc(c2)[N+]([O-])=O)no1)NC(c1ccccc1[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8736 |
| logD: | 5.8734 |
| logSw: | -5.8293 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.063 |
| InChI Key: | DEZLBQZVUYUEKE-UHFFFAOYSA-N |