3-[2-(3,4-dimethoxyphenyl)ethyl]-5-imino-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-imino-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide--hydrogen chloride (1/1)
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-imino-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8018-8053 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-imino-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide--hydrogen chloride (1/1) |
| Molecular Weight: | 285.73 |
| Molecular Formula: | C12 H15 N3 O3 |
| Salt: | HCl |
| Smiles: | [H][C-]1C(=N)ON=[N+]1CCc1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 0.5463 |
| logD: | 0.5396 |
| logSw: | -1.8833 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.792 |
| InChI Key: | HZFTVPWQDIGUEK-UHFFFAOYSA-N |