2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(4,4,8-trimethyl-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-(4,4,8-trimethyl-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-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Compound characteristics
| Compound ID: | 3390-0305 |
| Compound Name: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one |
| Molecular Weight: | 459.67 |
| Molecular Formula: | C21 H21 N3 O S4 |
| Smiles: | Cc1ccc2c(c1)C1=C(C(C)(C)N2C(CSc2nc(C)cc(C)n2)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.5329 |
| logD: | 4.5329 |
| logSw: | -4.3492 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 30.8131 |
| InChI Key: | ZXGWGJVPBXVDFA-UHFFFAOYSA-N |