6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-4-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-4-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinolin-1(2H)-one
6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-4-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C197-0035 |
| Compound Name: | 6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-4-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C24 H28 N2 O4 S |
| Smiles: | CN1C(C(C(N2CCCC2)=O)c2cc(c(cc2C1=O)OC)OC)c1ccc(cc1)SC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2312 |
| logD: | 3.2312 |
| logSw: | -3.5283 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.964 |
| InChI Key: | VVDIYGTZBMMWTD-UHFFFAOYSA-N |