2-cyclopentyl-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-cyclopentyl-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-cyclopentyl-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1211 |
| Compound Name: | 2-cyclopentyl-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 513.7 |
| Molecular Formula: | C31 H35 N3 O2 S |
| Smiles: | C1CCC(C1)N1C(C(C(NCCCN2CCc3ccccc3C2)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6258 |
| logD: | 3.4217 |
| logSw: | -4.3994 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.156 |
| InChI Key: | WDOSKLSDJSTYEX-UHFFFAOYSA-N |