5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0411 |
| Compound Name: | 5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 357.41 |
| Molecular Formula: | C22 H19 N3 O2 |
| Smiles: | COc1cccc(/C=C/c2nc(C#N)c(N3CCc4ccccc4C3)o2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8628 |
| logD: | 4.8628 |
| logSw: | -4.6965 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 46.626 |
| InChI Key: | UMPWWJUCEUVZRH-UHFFFAOYSA-N |