N-butyl-2-chloro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
Chemical Structure Depiction of
N-butyl-2-chloro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
N-butyl-2-chloro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
Compound characteristics
| Compound ID: | V030-2122 |
| Compound Name: | N-butyl-2-chloro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide |
| Molecular Weight: | 428.87 |
| Molecular Formula: | C21 H21 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCCCN(CCc1nc(c2ccc(cc2)[N+]([O-])=O)no1)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0793 |
| logD: | 5.0793 |
| logSw: | -5.2003 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.131 |
| InChI Key: | RVQBGDXJSYVURB-UHFFFAOYSA-N |