2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(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-(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-(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: | 3535-0299 |
| Compound Name: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one |
| Molecular Weight: | 445.64 |
| Molecular Formula: | C20 H19 N3 O S4 |
| Smiles: | Cc1cc(C)nc(n1)SCC(N1c2ccccc2C2=C(C1(C)C)SSC2=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.057 |
| logD: | 4.057 |
| logSw: | -4.1947 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 30.8131 |
| InChI Key: | JRKMJUJFIQZOHB-UHFFFAOYSA-N |