2-[2-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]hexahydro-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]hexahydro-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]hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3807-4566 |
| Compound Name: | 2-[2-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 458.62 |
| Molecular Formula: | C22 H22 N2 O3 S3 |
| Smiles: | CC1(C)C2=C(C(=S)SS2)c2ccccc2N1C(CN1C(C2CCCCC2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0573 |
| logD: | 3.0573 |
| logSw: | -3.5641 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 43.624 |
| InChI Key: | RKTUWUZNPOUIFB-UHFFFAOYSA-N |