2-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}-N,N-diethylbenzamide
Chemical Structure Depiction of
2-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}-N,N-diethylbenzamide
2-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}-N,N-diethylbenzamide
Compound characteristics
Compound ID: | 7894-4129 |
Compound Name: | 2-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}-N,N-diethylbenzamide |
Molecular Weight: | 441.57 |
Molecular Formula: | C28 H31 N3 O2 |
Smiles: | CCN(CC)C(c1ccccc1NC(c1ccc(CN2CCc3ccccc3C2)cc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2878 |
logD: | 3.943 |
logSw: | -4.066 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.958 |
InChI Key: | YERBIONOJVCNKN-UHFFFAOYSA-N |