5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D561-0970 |
| Compound Name: | 5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C26 H23 N3 O3 |
| Smiles: | Cc1ccc(C)c(c1)OCc1ccc(c2nc(C#N)c(N3CCc4ccccc4C3)o2)o1 |
| Stereo: | ACHIRAL |
| logP: | 6.0165 |
| logD: | 6.0165 |
| logSw: | -5.5602 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.572 |
| InChI Key: | NAQXBSPILZBVCN-UHFFFAOYSA-N |