2-{[2-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
2-{[2-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4151-0499 |
| Compound Name: | 2-{[2-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]sulfanyl}-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 491.67 |
| Molecular Formula: | C21 H21 N3 O3 S4 |
| Smiles: | CCOc1ccc2c(c1)C1=C(C(C)(C)N2C(CSC2NC(C=C(C)N=2)=O)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.4425 |
| logD: | 2.7206 |
| logSw: | -3.8657 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.364 |
| InChI Key: | ZQBHOYAMODMUHY-UHFFFAOYSA-N |