5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0517 |
| Compound Name: | 5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 417.46 |
| Molecular Formula: | C24 H23 N3 O4 |
| Smiles: | COc1cc(/C=C/c2nc(C#N)c(N3CCc4ccccc4C3)o2)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3434 |
| logD: | 4.3434 |
| logSw: | -4.376 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.06 |
| InChI Key: | ZLVWRWUOGDJADG-UHFFFAOYSA-N |