4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-0158 |
| Compound Name: | 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C27 H29 N3 O2 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(C1C(c2cccs2)N(C)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3327 |
| logD: | 4.3327 |
| logSw: | -4.3816 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.314 |
| InChI Key: | IJZFRLWLSWDOCW-UHFFFAOYSA-N |