1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
Compound ID: | 8010-1650 |
Compound Name: | 1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
Molecular Weight: | 450.62 |
Molecular Formula: | C18 H18 N4 O2 S4 |
Smiles: | CC1(C)C2=C(C(=S)SS2)c2cc(ccc2N1C(CSc1nncn1C)=O)OC |
Stereo: | ACHIRAL |
logP: | 2.8471 |
logD: | 2.8471 |
logSw: | -3.4188 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 47.216 |
InChI Key: | ZMAMERHFOWWYAT-UHFFFAOYSA-N |