4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-0233 |
| Compound Name: | 4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C26 H27 N3 O3 S |
| Smiles: | CN1C(C(C(N2CCN(CC2)c2cccc(c2)OC)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3172 |
| logD: | 3.3171 |
| logSw: | -3.6822 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.159 |
| InChI Key: | GOZPSALEEZHDKP-UHFFFAOYSA-N |