4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-ethyl-6,7-dimethoxyisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-ethyl-6,7-dimethoxyisoquinolin-1(2H)-one
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-ethyl-6,7-dimethoxyisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C168-0238 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-ethyl-6,7-dimethoxyisoquinolin-1(2H)-one |
| Molecular Weight: | 479.53 |
| Molecular Formula: | C26 H29 N3 O6 |
| Smiles: | CCN1C=C(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.1738 |
| logD: | 1.8563 |
| logSw: | -2.8447 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.762 |
| InChI Key: | HTMVVCWNFMADLM-UHFFFAOYSA-N |