1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 3807-5282 |
| Compound Name: | 1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 481.7 |
| Molecular Formula: | C19 H19 N3 O2 S5 |
| Smiles: | CCOc1ccc2c(c1)C1=C(C(C)(C)N2C(CSc2nnc(C)s2)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.1156 |
| logD: | 4.1156 |
| logSw: | -4.3003 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 43.702 |
| InChI Key: | YVGBRZINTFOGJO-UHFFFAOYSA-N |