2-[1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]-1H-isoindole-1,3(2H)-dione
2-[1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3389-1266 |
| Compound Name: | 2-[1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-1-oxo-3-phenylpropan-2-yl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 586.75 |
| Molecular Formula: | C31 H26 N2 O4 S3 |
| Smiles: | CCOc1ccc2c(c1)C1=C(C(C)(C)N2C(C(Cc2ccccc2)N2C(c3ccccc3C2=O)=O)=O)SSC1=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5513 |
| logD: | 6.5513 |
| logSw: | -5.7999 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 49.736 |
| InChI Key: | KMLIAGJDFZIJAD-DEOSSOPVSA-N |