N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1007 |
| Compound Name: | N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 517.73 |
| Molecular Formula: | C31 H39 N3 O2 S |
| Smiles: | CC(C)CN1C(C(C(NCCCN(Cc2ccccc2)C(C)C)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.254 |
| logD: | 3.2502 |
| logSw: | -4.9692 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.793 |
| InChI Key: | JHWNGRAWSBQZHE-UHFFFAOYSA-N |