N-butyl-6,7-dimethoxy-N,2-dimethyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-butyl-6,7-dimethoxy-N,2-dimethyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-butyl-6,7-dimethoxy-N,2-dimethyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C197-0082 |
| Compound Name: | N-butyl-6,7-dimethoxy-N,2-dimethyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 456.6 |
| Molecular Formula: | C25 H32 N2 O4 S |
| Smiles: | CCCCN(C)C(C1C(c2ccc(cc2)SC)N(C)C(c2cc(c(cc12)OC)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6041 |
| logD: | 3.604 |
| logSw: | -3.7349 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.35 |
| InChI Key: | UIUGOIXDXRUGFM-UHFFFAOYSA-N |