4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C138-0467 |
| Compound Name: | 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 526.05 |
| Molecular Formula: | C27 H28 Cl N3 O4 S |
| Smiles: | CN1C(C(C(N2CCN(CC2)c2cccc(c2)[Cl])=O)c2cc(c(cc2C1=O)OC)OC)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5329 |
| logD: | 3.5329 |
| logSw: | -3.8239 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.876 |
| InChI Key: | NHTLXZSAGMNXCK-UHFFFAOYSA-N |