(6-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(4-nitrophenyl)methanone
Chemical Structure Depiction of
(6-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(4-nitrophenyl)methanone
(6-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | Y021-0037 |
| Compound Name: | (6-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(4-nitrophenyl)methanone |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C21 H18 N2 O4 S3 |
| Smiles: | CCOc1cccc2C3=C(C(C)(C)N(C(c4ccc(cc4)[N+]([O-])=O)=O)c12)SSC3=S |
| Stereo: | ACHIRAL |
| logP: | 4.7529 |
| logD: | 4.7529 |
| logSw: | -4.6288 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 56.183 |
| InChI Key: | DNUZBPQARHTSJA-UHFFFAOYSA-N |