N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0774 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 503.71 |
| Molecular Formula: | C30 H37 N3 O2 S |
| Smiles: | CCN(CCCNC(C1C(c2cccs2)N(CC(C)C)C(c2ccccc12)=O)=O)c1cccc(C)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6351 |
| logD: | 5.6028 |
| logSw: | -5.3452 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.186 |
| InChI Key: | DXAUVHYAJYZVOU-UHFFFAOYSA-N |