2-(2-methylpropyl)-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-methylpropyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-(2-methylpropyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0986 |
| Compound Name: | 2-(2-methylpropyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 478.68 |
| Molecular Formula: | C27 H30 N2 O2 S2 |
| Smiles: | CC(C)CN1C(C(C(NCCc2ccc(cc2)SC)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1392 |
| logD: | 5.1392 |
| logSw: | -4.9638 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.196 |
| InChI Key: | IMDNVZDAZOIXEW-UHFFFAOYSA-N |