2-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}-N-propylbenzamide
Chemical Structure Depiction of
2-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}-N-propylbenzamide
2-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}-N-propylbenzamide
Compound characteristics
| Compound ID: | 8264-0681 |
| Compound Name: | 2-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}-N-propylbenzamide |
| Molecular Weight: | 427.55 |
| Molecular Formula: | C27 H29 N3 O2 |
| Smiles: | CCCNC(c1ccccc1NC(c1ccc(CN2CCc3ccccc3C2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3915 |
| logD: | 4.0913 |
| logSw: | -4.0396 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.553 |
| InChI Key: | AKVHOCABWUMSEQ-UHFFFAOYSA-N |