4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C138-0605 |
| Compound Name: | 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 538.02 |
| Molecular Formula: | C29 H29 Cl F N3 O4 |
| Smiles: | CN1C(C(C(N2CCN(CC2)c2cccc(c2)[Cl])=O)c2cc(c(cc2C1=O)OC)OC)c1ccccc1F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0446 |
| logD: | 4.0446 |
| logSw: | -4.4971 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.858 |
| InChI Key: | NLJJUVMJGXTTJZ-UHFFFAOYSA-N |