2-(4-{[(4-tert-butylphenyl)methyl]amino}phenyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-(4-{[(4-tert-butylphenyl)methyl]amino}phenyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-(4-{[(4-tert-butylphenyl)methyl]amino}phenyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | V022-5552 |
| Compound Name: | 2-(4-{[(4-tert-butylphenyl)methyl]amino}phenyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 412.58 |
| Molecular Formula: | C28 H32 N2 O |
| Smiles: | CC(C)(C)c1ccc(CNc2ccc(CC(N3CCc4ccccc4C3)=O)cc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.2427 |
| logD: | 6.2426 |
| logSw: | -5.5936 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.2558 |
| InChI Key: | ASWDCMFGBNXHGM-UHFFFAOYSA-N |