N-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitrobenzamide
N-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V031-1796 |
| Compound Name: | N-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitrobenzamide |
| Molecular Weight: | 372.77 |
| Molecular Formula: | C17 H13 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | C(CNC(c1cccc(c1)[N+]([O-])=O)=O)c1nc(c2cccc(c2)[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 3.8383 |
| logD: | 3.8383 |
| logSw: | -4.4463 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.218 |
| InChI Key: | HVTKCPNIXRFDMW-UHFFFAOYSA-N |