1-(7-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-(7-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
1-(7-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | 3389-2806 |
| Compound Name: | 1-(7-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 469.64 |
| Molecular Formula: | C24 H23 N O3 S3 |
| Smiles: | CCOc1ccc2C3=C(C(C)(C)N(C(/C=C/c4ccc(cc4)OC)=O)c2c1)SSC3=S |
| Stereo: | ACHIRAL |
| logP: | 5.6757 |
| logD: | 5.6757 |
| logSw: | -5.549 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 28.5744 |
| InChI Key: | XICNGVALDYAGKF-UHFFFAOYSA-N |