1-(7-methoxy-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-methoxy-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-methoxy-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: | Y020-9966 |
| Compound Name: | 1-(7-methoxy-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: | 455.62 |
| Molecular Formula: | C23 H21 N O3 S3 |
| Smiles: | CC1(C)C2=C(C(=S)SS2)c2ccc(cc2N1C(/C=C/c1ccc(cc1)OC)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.2883 |
| logD: | 5.2883 |
| logSw: | -5.4938 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 28.9945 |
| InChI Key: | ZWHXMMMLJPSJQZ-UHFFFAOYSA-N |