3-(4-nitrophenyl)-1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-(4-nitrophenyl)-1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
3-(4-nitrophenyl)-1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y021-0261 |
| Compound Name: | 3-(4-nitrophenyl)-1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C22 H18 N2 O3 S3 |
| Smiles: | Cc1ccc2c(c1)C1=C(C(C)(C)N2C(/C=C/c2ccc(cc2)[N+]([O-])=O)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.3684 |
| logD: | 5.3684 |
| logSw: | -5.4607 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 47.289 |
| InChI Key: | IGIDSTOPDBIMFT-UHFFFAOYSA-N |