(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(2-methyl-3-nitrophenyl)methanone
Chemical Structure Depiction of
(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(2-methyl-3-nitrophenyl)methanone
(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(2-methyl-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | 4151-0298 |
| Compound Name: | (8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(2-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 472.6 |
| Molecular Formula: | C22 H20 N2 O4 S3 |
| Smiles: | CCOc1ccc2c(c1)C1=C(C(C)(C)N2C(c2cccc(c2C)[N+]([O-])=O)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.3159 |
| logD: | 5.3159 |
| logSw: | -5.4413 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 54.639 |
| InChI Key: | LIYPTAQNUAQEGB-UHFFFAOYSA-N |