4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-1(2H)-one
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C080-0053 |
| Compound Name: | 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-1(2H)-one |
| Molecular Weight: | 548.04 |
| Molecular Formula: | C30 H30 Cl N3 O5 |
| Smiles: | CCOc1ccc(cc1)N1C=C(C(N2CCN(CC2)c2cccc(c2)[Cl])=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5743 |
| logD: | 4.5743 |
| logSw: | -4.7078 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.048 |
| InChI Key: | QFHOCEDICHSAMP-UHFFFAOYSA-N |