4-(4-benzylpiperazine-1-carbonyl)-2-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(4-benzylpiperazine-1-carbonyl)-2-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-1(2H)-one
4-(4-benzylpiperazine-1-carbonyl)-2-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C080-0089 |
| Compound Name: | 4-(4-benzylpiperazine-1-carbonyl)-2-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-1(2H)-one |
| Molecular Weight: | 527.62 |
| Molecular Formula: | C31 H33 N3 O5 |
| Smiles: | CCOc1ccc(cc1)N1C=C(C(N2CCN(CC2)Cc2ccccc2)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6718 |
| logD: | 3.6423 |
| logSw: | -3.7725 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.328 |
| InChI Key: | KWWNLUUYBBKJHJ-UHFFFAOYSA-N |