ethyl {[2-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[2-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]sulfanyl}acetate
ethyl {[2-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3389-1773 |
| Compound Name: | ethyl {[2-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]sulfanyl}acetate |
| Molecular Weight: | 425.61 |
| Molecular Formula: | C18 H19 N O3 S4 |
| Smiles: | CCOC(CSCC(N1c2ccccc2C2=C(C1(C)C)SSC2=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7853 |
| logD: | 3.7853 |
| logSw: | -4.0472 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 34.337 |
| InChI Key: | KKFRSHRGTCXAEF-UHFFFAOYSA-N |