3-(3,4-dimethoxyphenyl)-1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
3-(3,4-dimethoxyphenyl)-1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | 4477-0748 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one |
| Molecular Weight: | 485.64 |
| Molecular Formula: | C24 H23 N O4 S3 |
| Smiles: | CC1(C)C2=C(C(=S)SS2)c2cc(ccc2N1C(/C=C/c1ccc(c(c1)OC)OC)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8576 |
| logD: | 4.8576 |
| logSw: | -4.7306 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 36.712 |
| InChI Key: | NMCJRFQVVMCCCP-UHFFFAOYSA-N |