N-{2-[butyl(ethyl)amino]ethyl}-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{2-[butyl(ethyl)amino]ethyl}-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-{2-[butyl(ethyl)amino]ethyl}-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C197-0113 |
| Compound Name: | N-{2-[butyl(ethyl)amino]ethyl}-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 513.7 |
| Molecular Formula: | C28 H39 N3 O4 S |
| Smiles: | CCCCN(CC)CCNC(C1C(c2ccc(cc2)SC)N(C)C(c2cc(c(cc12)OC)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8359 |
| logD: | 1.8635 |
| logSw: | -3.8189 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.14 |
| InChI Key: | WGGRPTGUNCWWHC-UHFFFAOYSA-N |