4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-0497 |
| Compound Name: | 4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C29 H31 N3 O4 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(C1C(c2cccs2)N(CCOC)C(c2ccccc12)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1122 |
| logD: | 3.1122 |
| logSw: | -3.361 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.997 |
| InChI Key: | BUVPAXSJGBLLPL-UHFFFAOYSA-N |