N-butyl-3-nitro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
Chemical Structure Depiction of
N-butyl-3-nitro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
N-butyl-3-nitro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
Compound characteristics
| Compound ID: | V030-2156 |
| Compound Name: | N-butyl-3-nitro-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide |
| Molecular Weight: | 439.43 |
| Molecular Formula: | C21 H21 N5 O6 |
| Salt: | not_available |
| Smiles: | CCCCN(CCc1nc(c2ccc(cc2)[N+]([O-])=O)no1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5272 |
| logD: | 4.5272 |
| logSw: | -4.2486 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 114.512 |
| InChI Key: | JASSJIGFJWPFSO-UHFFFAOYSA-N |