(7-methoxy-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
(7-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(4-nitrophenyl)methanone
(7-methoxy-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: | Y021-0036 |
| Compound Name: | (7-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(4-nitrophenyl)methanone |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C20 H16 N2 O4 S3 |
| Smiles: | CC1(C)C2=C(C(=S)SS2)c2ccc(cc2N1C(c1ccc(cc1)[N+]([O-])=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7476 |
| logD: | 4.7476 |
| logSw: | -4.6571 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 55.36 |
| InChI Key: | BAEYSDSSFJIZMT-UHFFFAOYSA-N |