1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(1-methyl-1H-1,2,4-triazol-3-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-[(1-methyl-1H-1,2,4-triazol-3-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-[(1-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 3966-3134 |
| Compound Name: | 1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(1-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 464.65 |
| Molecular Formula: | C19 H20 N4 O2 S4 |
| Smiles: | CCOc1ccc2c(c1)C1=C(C(C)(C)N2C(CSc2ncn(C)n2)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.3641 |
| logD: | 3.3641 |
| logSw: | -3.7533 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 44.144 |
| InChI Key: | UXDJFADDWKOBGW-UHFFFAOYSA-N |