4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-0837 |
| Compound Name: | 4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 515.67 |
| Molecular Formula: | C30 H33 N3 O3 S |
| Smiles: | CC(C)CN1C(C(C(N2CCN(CC2)c2ccc(cc2)C(C)=O)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4322 |
| logD: | 4.4322 |
| logSw: | -4.2545 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.676 |
| InChI Key: | ZYWGSJHOLFFYAT-UHFFFAOYSA-N |