N-{3-[butyl(ethyl)amino]propyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{3-[butyl(ethyl)amino]propyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-{3-[butyl(ethyl)amino]propyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0872 |
| Compound Name: | N-{3-[butyl(ethyl)amino]propyl}-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 469.69 |
| Molecular Formula: | C27 H39 N3 O2 S |
| Smiles: | CCCCN(CC)CCCNC(C1C(c2cccs2)N(CC(C)C)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6459 |
| logD: | 1.8953 |
| logSw: | -4.1317 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.132 |
| InChI Key: | RNJNAOFPFSUPLH-UHFFFAOYSA-N |