2-[2-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-4-nitro-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]-4-nitro-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]-4-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3535-0351 |
| Compound Name: | 2-[2-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-4-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 497.57 |
| Molecular Formula: | C22 H15 N3 O5 S3 |
| Smiles: | CC1(C)C2=C(C(=S)SS2)c2ccccc2N1C(CN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5388 |
| logD: | 2.5388 |
| logSw: | -2.8633 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 76.512 |
| InChI Key: | CLEUAGRIIDEAFW-UHFFFAOYSA-N |