1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-nitrophenyl)piperazine
Chemical Structure Depiction of
1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-nitrophenyl)piperazine
1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-nitrophenyl)piperazine
Compound characteristics
| Compound ID: | C599-1080 |
| Compound Name: | 1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-nitrophenyl)piperazine |
| Molecular Weight: | 425.44 |
| Molecular Formula: | C21 H23 N5 O5 |
| Smiles: | COc1ccc(cc1OC)c1nc(CN2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.4071 |
| logD: | 3.407 |
| logSw: | -3.6833 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.217 |
| InChI Key: | PDDAROPBJDAUNU-UHFFFAOYSA-N |