1-(6-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-(4-nitrophenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-(6-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-(4-nitrophenyl)prop-2-en-1-one
1-(6-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-(4-nitrophenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y020-5027 |
| Compound Name: | 1-(6-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-(4-nitrophenyl)prop-2-en-1-one |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C22 H18 N2 O4 S3 |
| Smiles: | CC1(C)C2=C(C(=S)SS2)c2cccc(c2N1C(/C=C/c1ccc(cc1)[N+]([O-])=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8726 |
| logD: | 4.8726 |
| logSw: | -4.813 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 56.076 |
| InChI Key: | JBPDKCFZPYJLNX-UHFFFAOYSA-N |