(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(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)(3-nitrophenyl)methanone
(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | 3389-0629 |
| Compound Name: | (8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(3-nitrophenyl)methanone |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C21 H18 N2 O4 S3 |
| Smiles: | CCOc1ccc2c(c1)C1=C(C(C)(C)N2C(c2cccc(c2)[N+]([O-])=O)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.917 |
| logD: | 4.917 |
| logSw: | -4.7166 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 54.939 |
| InChI Key: | CYTSUDUTBSICGR-UHFFFAOYSA-N |