N-[3-(4-ethylpiperazin-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-(4-ethylpiperazin-1-yl)propyl]-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[3-(4-ethylpiperazin-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: | C197-0115 |
| Compound Name: | N-[3-(4-ethylpiperazin-1-yl)propyl]-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 540.73 |
| Molecular Formula: | C29 H40 N4 O4 S |
| Smiles: | CCN1CCN(CCCNC(C2C(c3ccc(cc3)SC)N(C)C(c3cc(c(cc23)OC)OC)=O)=O)CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2531 |
| logD: | 1.3049 |
| logSw: | -3.0383 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.723 |
| InChI Key: | ZLHCUCPYBXEDKX-UHFFFAOYSA-N |