7,8-dimethoxy-2-[3-(methylsulfanyl)phenyl]-3-sulfanylidene-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one
Chemical Structure Depiction of
7,8-dimethoxy-2-[3-(methylsulfanyl)phenyl]-3-sulfanylidene-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one
7,8-dimethoxy-2-[3-(methylsulfanyl)phenyl]-3-sulfanylidene-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one
Compound characteristics
| Compound ID: | 8249-4021 |
| Compound Name: | 7,8-dimethoxy-2-[3-(methylsulfanyl)phenyl]-3-sulfanylidene-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C20 H20 N2 O3 S2 |
| Smiles: | COc1cc2CC3C(N(C(N3Cc2cc1OC)=S)c1cccc(c1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.829 |
| logD: | 2.829 |
| logSw: | -3.2297 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 33.961 |
| InChI Key: | BQQBOLKJKXIKHP-MRXNPFEDSA-N |