2-(2-methoxyethyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(2-methoxyethyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
2-(2-methoxyethyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-0381 |
| Compound Name: | 2-(2-methoxyethyl)-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 520.61 |
| Molecular Formula: | C27 H28 N4 O5 S |
| Smiles: | COCCN1C(C(C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4958 |
| logD: | 3.4958 |
| logSw: | -3.7359 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.552 |
| InChI Key: | OTJJLVAVBQLNHL-UHFFFAOYSA-N |