N-(3-chloro-4-fluorophenyl)-2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxoquinolin-1(2H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxoquinolin-1(2H)-yl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxoquinolin-1(2H)-yl]acetamide
Compound characteristics
| Compound ID: | J078-0835 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxoquinolin-1(2H)-yl]acetamide |
| Molecular Weight: | 489.93 |
| Molecular Formula: | C27 H21 Cl F N3 O3 |
| Smiles: | C1CN(Cc2ccccc12)C(C1=CC(N(CC(Nc2ccc(c(c2)[Cl])F)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2716 |
| logD: | 4.2631 |
| logSw: | -4.5487 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.078 |
| InChI Key: | PAQXUKPUSYUEFC-UHFFFAOYSA-N |