4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1(2H)-one
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C168-0514 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 507.59 |
| Molecular Formula: | C28 H33 N3 O6 |
| Smiles: | CC(C)CN1C=C(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1126 |
| logD: | 2.7951 |
| logSw: | -3.2189 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.037 |
| InChI Key: | RJWISIIAKFEVDO-UHFFFAOYSA-N |