N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-(pyrrolidine-1-sulfonyl)-4-(pyrrolidin-1-yl)benzamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-(pyrrolidine-1-sulfonyl)-4-(pyrrolidin-1-yl)benzamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-(pyrrolidine-1-sulfonyl)-4-(pyrrolidin-1-yl)benzamide
Compound characteristics
| Compound ID: | G554-0563 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-(pyrrolidine-1-sulfonyl)-4-(pyrrolidin-1-yl)benzamide |
| Molecular Weight: | 496.67 |
| Molecular Formula: | C27 H36 N4 O3 S |
| Smiles: | C1CCN(C1)c1ccc(cc1S(N1CCCC1)(=O)=O)C(NCCCN1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4665 |
| logD: | 2.3167 |
| logSw: | -3.853 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.732 |
| InChI Key: | MBXYNNLQLMFFOZ-UHFFFAOYSA-N |