dimethyl 2-[1-(3-chloro-1-benzothiophene-2-carbonyl)-2,2,8-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[1-(3-chloro-1-benzothiophene-2-carbonyl)-2,2,8-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-(3-chloro-1-benzothiophene-2-carbonyl)-2,2,8-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3456-2022 |
| Compound Name: | dimethyl 2-[1-(3-chloro-1-benzothiophene-2-carbonyl)-2,2,8-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 616.2 |
| Molecular Formula: | C28 H22 Cl N O5 S4 |
| Smiles: | Cc1cccc2C(=C3SC(=C(C(=O)OC)S3)C(=O)OC)C(C(C)(C)N(C(c3c(c4ccccc4s3)[Cl])=O)c12)=S |
| Stereo: | ACHIRAL |
| logP: | 7.2951 |
| logD: | 7.2951 |
| logSw: | -6.469 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 58.686 |
| InChI Key: | RIXPGIIUOLAVON-UHFFFAOYSA-N |