dimethyl 2-{1-[(4-chlorophenoxy)acetyl]-2,2,6,7-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{1-[(4-chlorophenoxy)acetyl]-2,2,6,7-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-{1-[(4-chlorophenoxy)acetyl]-2,2,6,7-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3389-2789 |
| Compound Name: | dimethyl 2-{1-[(4-chlorophenoxy)acetyl]-2,2,6,7-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 604.16 |
| Molecular Formula: | C28 H26 Cl N O6 S3 |
| Smiles: | Cc1cc2C(=C3SC(=C(C(=O)OC)S3)C(=O)OC)C(C(C)(C)N(C(COc3ccc(cc3)[Cl])=O)c2cc1C)=S |
| Stereo: | ACHIRAL |
| logP: | 6.6061 |
| logD: | 6.6061 |
| logSw: | -6.2555 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 63.754 |
| InChI Key: | KDDCJMSVJSOSFK-UHFFFAOYSA-N |