6,7-dimethoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
6,7-dimethoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
6,7-dimethoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C197-0108 |
| Compound Name: | 6,7-dimethoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 526.7 |
| Molecular Formula: | C28 H38 N4 O4 S |
| Smiles: | CN1CCN(CCCNC(C2C(c3ccc(cc3)SC)N(C)C(c3cc(c(cc23)OC)OC)=O)=O)CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9084 |
| logD: | 0.7039 |
| logSw: | -2.9162 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.663 |
| InChI Key: | DYUOZYJGJMVYMV-UHFFFAOYSA-N |