(4,4-dimethyl-1-sulfanylidene-1,4,8,9-tetrahydro-5H-[1,4]dioxino[2,3-g][1,2]dithiolo[3,4-c]quinolin-5-yl)(4-methoxyphenyl)methanone
Chemical Structure Depiction of
(4,4-dimethyl-1-sulfanylidene-1,4,8,9-tetrahydro-5H-[1,4]dioxino[2,3-g][1,2]dithiolo[3,4-c]quinolin-5-yl)(4-methoxyphenyl)methanone
(4,4-dimethyl-1-sulfanylidene-1,4,8,9-tetrahydro-5H-[1,4]dioxino[2,3-g][1,2]dithiolo[3,4-c]quinolin-5-yl)(4-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | Y021-2413 |
| Compound Name: | (4,4-dimethyl-1-sulfanylidene-1,4,8,9-tetrahydro-5H-[1,4]dioxino[2,3-g][1,2]dithiolo[3,4-c]quinolin-5-yl)(4-methoxyphenyl)methanone |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C22 H19 N O4 S3 |
| Smiles: | CC1(C)C2=C(C(=S)SS2)c2cc3c(cc2N1C(c1ccc(cc1)OC)=O)OCCO3 |
| Stereo: | ACHIRAL |
| logP: | 3.5991 |
| logD: | 3.5991 |
| logSw: | -3.946 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 37.801 |
| InChI Key: | YWIMRDAAXSVZIM-UHFFFAOYSA-N |