N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C197-0112 |
| Compound Name: | N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 539.74 |
| Molecular Formula: | C30 H41 N3 O4 S |
| Smiles: | CC1CC(C)CN(CCCNC(C2C(c3ccc(cc3)SC)N(C)C(c3cc(c(cc23)OC)OC)=O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9416 |
| logD: | 1.3368 |
| logSw: | -3.9407 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.054 |
| InChI Key: | FWWIJJHVQMKHDW-UHFFFAOYSA-N |