4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C066-0312 |
| Compound Name: | 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-cyclohexyl-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 558.12 |
| Molecular Formula: | C33 H36 Cl N3 O3 |
| Smiles: | COc1ccc(cc1)C1C(C(N2CCN(CC2)c2ccccc2[Cl])=O)c2ccccc2C(N1C1CCCCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2639 |
| logD: | 6.2639 |
| logSw: | -5.9979 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.024 |
| InChI Key: | HLVXOVYOAZIHPU-UHFFFAOYSA-N |