2-(4-ethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxyisoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(4-ethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxyisoquinolin-1(2H)-one
2-(4-ethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxyisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C080-0048 |
| Compound Name: | 2-(4-ethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxyisoquinolin-1(2H)-one |
| Molecular Weight: | 531.58 |
| Molecular Formula: | C30 H30 F N3 O5 |
| Smiles: | CCOc1ccc(cc1)N1C=C(C(N2CCN(CC2)c2ccccc2F)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1692 |
| logD: | 4.1692 |
| logSw: | -4.2074 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.746 |
| InChI Key: | HZKRMDAUMXKRII-UHFFFAOYSA-N |