5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(morpholine-4-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(morpholine-4-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(morpholine-4-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0702 |
| Compound Name: | 5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(morpholine-4-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H22 N4 O4 S |
| Smiles: | C1CN(Cc2ccccc12)c1c(C#N)nc(c2ccc(cc2)S(N2CCOCC2)(=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.2555 |
| logD: | 3.2555 |
| logSw: | -3.4358 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.036 |
| InChI Key: | YLVXTJGUKFRHPY-UHFFFAOYSA-N |