2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Chemical Structure Depiction of
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Compound characteristics
| Compound ID: | 3807-5289 |
| Compound Name: | 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one |
| Molecular Weight: | 530.77 |
| Molecular Formula: | C24 H22 N2 O2 S5 |
| Smiles: | CCOc1ccc2c(c1)sc(n2)SCC(N1c2ccc(C)cc2C2=C(C1(C)C)SSC2=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5858 |
| logD: | 6.5858 |
| logSw: | -5.6869 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 30.1121 |
| InChI Key: | CKSQTAOXWQRMGK-UHFFFAOYSA-N |