{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenyl}[4-(4-methoxyphenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenyl}[4-(4-methoxyphenyl)piperazin-1-yl]methanone
{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenyl}[4-(4-methoxyphenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | D672-0114 |
| Compound Name: | {4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenyl}[4-(4-methoxyphenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C28 H31 N3 O2 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(c1ccc(CN2CCc3ccccc3C2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2629 |
| logD: | 3.9823 |
| logSw: | -4.1386 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.0853 |
| InChI Key: | JXRLHXUKFHRASA-UHFFFAOYSA-N |