4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-0502 |
| Compound Name: | 4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 510.05 |
| Molecular Formula: | C27 H28 Cl N3 O3 S |
| Smiles: | COCCN1C(C(C(N2CCN(CC2)c2ccc(cc2)[Cl])=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1648 |
| logD: | 4.1648 |
| logSw: | -4.5868 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.171 |
| InChI Key: | WORWGCOIHDJQAS-UHFFFAOYSA-N |