2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-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-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-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-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-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: | Y020-5547 |
| Compound Name: | 2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-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: | 545.81 |
| Molecular Formula: | C23 H19 N3 O S6 |
| Smiles: | Cc1ccc2c(c1)C1=C(C(C)(C)N2C(CSC2=NN(C(=S)S2)c2ccccc2)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.3819 |
| logD: | 6.3818 |
| logSw: | -5.5754 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 28.1282 |
| InChI Key: | QOHIXOSLCOQRNC-UHFFFAOYSA-N |