2-(2-methoxyethyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(2-methoxyethyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-(2-methoxyethyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0646 |
| Compound Name: | 2-(2-methoxyethyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 480.65 |
| Molecular Formula: | C26 H28 N2 O3 S2 |
| Smiles: | COCCN1C(C(C(NCCc2ccc(cc2)SC)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8192 |
| logD: | 3.8192 |
| logSw: | -3.9422 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.517 |
| InChI Key: | MENLUTCSQPNJCE-UHFFFAOYSA-N |