2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-(3,4-dihydroisoquinolin-2(1H)-yl)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-(3,4-dihydroisoquinolin-2(1H)-yl)-1,3-oxazole-4-carbonitrile
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-(3,4-dihydroisoquinolin-2(1H)-yl)-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0952 |
| Compound Name: | 2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-(3,4-dihydroisoquinolin-2(1H)-yl)-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 496.59 |
| Molecular Formula: | C28 H24 N4 O3 S |
| Smiles: | C1CN(Cc2ccccc12)c1c(C#N)nc(c2ccc(cc2)S(N2CCc3ccccc3C2)(=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.284 |
| logD: | 5.284 |
| logSw: | -5.7097 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.789 |
| InChI Key: | NLHFFGSFAOWACT-UHFFFAOYSA-N |