5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0503 |
| Compound Name: | 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 465.51 |
| Molecular Formula: | C25 H27 N3 O6 |
| Smiles: | COc1ccc(CCNc2c(C#N)nc(/C=C/c3cc(c(c(c3)OC)OC)OC)o2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.2293 |
| logD: | 3.2293 |
| logSw: | -3.3321 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.023 |
| InChI Key: | KCSWQACVMHEKGA-UHFFFAOYSA-N |