4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-pentylbenzamide
Chemical Structure Depiction of
4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-pentylbenzamide
4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-pentylbenzamide
Compound characteristics
| Compound ID: | 8264-0686 |
| Compound Name: | 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-pentylbenzamide |
| Molecular Weight: | 336.48 |
| Molecular Formula: | C22 H28 N2 O |
| Smiles: | CCCCCNC(c1ccc(CN2CCc3ccccc3C2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3501 |
| logD: | 4.0695 |
| logSw: | -4.0643 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.1593 |
| InChI Key: | IPFAFWZYQVDDPF-UHFFFAOYSA-N |