2-(2-methoxyethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(2-methoxyethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-(2-methoxyethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0549 |
| Compound Name: | 2-(2-methoxyethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 504.65 |
| Molecular Formula: | C28 H32 N4 O3 S |
| Smiles: | CN1CCN(CC1)c1ccccc1NC(C1C(c2cccs2)N(CCOC)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4156 |
| logD: | 2.9407 |
| logSw: | -3.8711 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.283 |
| InChI Key: | IJDIXTNUEUHLED-UHFFFAOYSA-N |