2-[2-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[2-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
2-[2-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | 3389-0857 |
Compound Name: | 2-[2-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione |
Molecular Weight: | 452.57 |
Molecular Formula: | C22 H16 N2 O3 S3 |
Smiles: | CC1(C)C2=C(C(=S)SS2)c2ccccc2N1C(CN1C(c2ccccc2C1=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.4532 |
logD: | 3.4532 |
logSw: | -3.8472 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 43.431 |
InChI Key: | LVUACLDWUOPFJW-UHFFFAOYSA-N |