(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)(3-methylphenyl)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)(3-methylphenyl)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)(3-methylphenyl)methanone
Compound characteristics
| Compound ID: | Y021-2412 |
| 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)(3-methylphenyl)methanone |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C22 H19 N O3 S3 |
| Smiles: | Cc1cccc(c1)C(N1c2cc3c(cc2C2=C(C1(C)C)SSC2=S)OCCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9037 |
| logD: | 3.9037 |
| logSw: | -4.0416 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 30.2575 |
| InChI Key: | YIEBEROXAIGDOB-UHFFFAOYSA-N |