1-(4-chlorophenyl)-6,7-diethoxy-2-[4-(propan-2-yl)phenyl]-1,4-dihydroisoquinolin-3(2H)-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-6,7-diethoxy-2-[4-(propan-2-yl)phenyl]-1,4-dihydroisoquinolin-3(2H)-one
1-(4-chlorophenyl)-6,7-diethoxy-2-[4-(propan-2-yl)phenyl]-1,4-dihydroisoquinolin-3(2H)-one
Compound characteristics
| Compound ID: | D145-2229 |
| Compound Name: | 1-(4-chlorophenyl)-6,7-diethoxy-2-[4-(propan-2-yl)phenyl]-1,4-dihydroisoquinolin-3(2H)-one |
| Molecular Weight: | 464 |
| Molecular Formula: | C28 H30 Cl N O3 |
| Smiles: | CCOc1cc2CC(N(C(c3ccc(cc3)[Cl])c2cc1OCC)c1ccc(cc1)C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2056 |
| logD: | 6.2056 |
| logSw: | -6.372 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.7379 |
| InChI Key: | KGAGQABUGZXYNP-NDEPHWFRSA-N |