4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1(2H)-one
4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C066-1534 |
| Compound Name: | 4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 491.59 |
| Molecular Formula: | C28 H33 N3 O5 |
| Smiles: | CC(C)CN1C=C(C(N2CCN(CC2)c2ccc(cc2)C(C)=O)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.224 |
| logD: | 3.224 |
| logSw: | -3.3092 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.468 |
| InChI Key: | SVPSDQROLPPOSN-UHFFFAOYSA-N |