4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide
Chemical Structure Depiction of
4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide
4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide
Compound characteristics
| Compound ID: | 8264-0668 |
| Compound Name: | 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C27 H29 N3 O3 S |
| Smiles: | C1CCN(C1)S(c1ccc(cc1)NC(c1ccc(CN2CCc3ccccc3C2)cc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2095 |
| logD: | 3.9061 |
| logSw: | -4.1759 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.801 |
| InChI Key: | IDQGIAKHENYTHX-UHFFFAOYSA-N |