2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxoquinolin-1(2H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxoquinolin-1(2H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxoquinolin-1(2H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | J078-0849 |
| Compound Name: | 2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxoquinolin-1(2H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C28 H25 N3 O3 S |
| Smiles: | CSc1cccc(c1)NC(CN1C(C=C(C(N2CCc3ccccc3C2)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0024 |
| logD: | 4.0024 |
| logSw: | -4.2276 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.078 |
| InChI Key: | CXOHCWYPHCECSC-UHFFFAOYSA-N |