2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Compound characteristics
| Compound ID: | 3535-0300 |
| Compound Name: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one |
| Molecular Weight: | 475.67 |
| Molecular Formula: | C21 H21 N3 O2 S4 |
| Smiles: | Cc1cc(C)nc(n1)SCC(N1c2ccc(cc2C2=C(C1(C)C)SSC2=S)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2419 |
| logD: | 4.2419 |
| logSw: | -4.4126 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 38.357 |
| InChI Key: | RZTQGDILHHHAKB-UHFFFAOYSA-N |