4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxyisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxyisoquinolin-1(2H)-one
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxyisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C066-1369 |
| Compound Name: | 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxyisoquinolin-1(2H)-one |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C26 H31 N3 O4 |
| Smiles: | CCN1C=C(C(N2CCN(CC2)c2cccc(C)c2C)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7452 |
| logD: | 3.7452 |
| logSw: | -3.9199 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.065 |
| InChI Key: | CNVQCFSCNBCSHZ-UHFFFAOYSA-N |