5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile
5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0886 |
| Compound Name: | 5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 333.41 |
| Molecular Formula: | C19 H15 N3 O S |
| Smiles: | C1CN(Cc2ccccc12)c1c(C#N)nc(/C=C/c2cccs2)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.2629 |
| logD: | 4.2629 |
| logSw: | -4.2731 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 40.101 |
| InChI Key: | MRYJWQZBLKCMPO-UHFFFAOYSA-N |