4-[4-(5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-1H-imidazol-1-yl]benzonitrile
Chemical Structure Depiction of
4-[4-(5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-1H-imidazol-1-yl]benzonitrile
4-[4-(5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-1H-imidazol-1-yl]benzonitrile
Compound characteristics
| Compound ID: | M149-0126 |
| Compound Name: | 4-[4-(5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-1H-imidazol-1-yl]benzonitrile |
| Molecular Weight: | 442.5 |
| Molecular Formula: | C23 H18 N6 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(CSc1nnc(c2cn(cn2)c2ccc(C#N)cc2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0506 |
| logD: | 3.0498 |
| logSw: | -3.1513 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.413 |
| InChI Key: | QIFQOHNXSWEFQL-UHFFFAOYSA-N |