1-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]ethan-1-one
1-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 3652-0180 |
| Compound Name: | 1-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 569.81 |
| Molecular Formula: | C26 H23 N3 O2 S5 |
| Smiles: | Cc1ccc(cc1)SCc1cc(nc(n1)SCC(N1c2ccccc2C2=C(C1(C)C)SSC2=S)=O)O |
| Stereo: | ACHIRAL |
| logP: | 6.1416 |
| logD: | 5.8383 |
| logSw: | -5.3261 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.683 |
| InChI Key: | BSGBSTVPBRGWOY-UHFFFAOYSA-N |