2-ethyl-6,7-dimethoxy-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-ethyl-6,7-dimethoxy-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}isoquinolin-1(2H)-one
2-ethyl-6,7-dimethoxy-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C168-0248 |
| Compound Name: | 2-ethyl-6,7-dimethoxy-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}isoquinolin-1(2H)-one |
| Molecular Weight: | 525.6 |
| Molecular Formula: | C28 H35 N3 O7 |
| Smiles: | CCN1C=C(C(N2CCN(CC2)Cc2ccc(c(c2OC)OC)OC)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2504 |
| logD: | 1.92 |
| logSw: | -2.9728 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.711 |
| InChI Key: | VEGPHXOFTKIXON-UHFFFAOYSA-N |