5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0397 |
| Compound Name: | 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C23 H23 N3 O4 |
| Smiles: | COc1cccc(/C=C/c2nc(C#N)c(NCCc3ccc(c(c3)OC)OC)o2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7486 |
| logD: | 3.7486 |
| logSw: | -4.1046 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.589 |
| InChI Key: | AQOACMRTGKAEKT-UHFFFAOYSA-N |