3-nitro-N-{1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
Chemical Structure Depiction of
3-nitro-N-{1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
3-nitro-N-{1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
Compound characteristics
| Compound ID: | V028-7142 |
| Compound Name: | 3-nitro-N-{1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide |
| Molecular Weight: | 428.4 |
| Molecular Formula: | C20 H20 N4 O7 |
| Smiles: | CC(c1nc(c2cc(c(c(c2)OC)OC)OC)no1)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1974 |
| logD: | 3.1971 |
| logSw: | -3.5852 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.852 |
| InChI Key: | QVTYXXYGTYVSTQ-NSHDSACASA-N |