dimethyl 2-{1-[(3,4-dichlorophenyl)carbamoyl]-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{1-[(3,4-dichlorophenyl)carbamoyl]-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-{1-[(3,4-dichlorophenyl)carbamoyl]-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3652-0073 |
| Compound Name: | dimethyl 2-{1-[(3,4-dichlorophenyl)carbamoyl]-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 609.57 |
| Molecular Formula: | C26 H22 Cl2 N2 O5 S3 |
| Smiles: | Cc1ccc2C(=C3SC(=C(C(=O)OC)S3)C(=O)OC)C(C(C)(C)N(C(Nc3ccc(c(c3)[Cl])[Cl])=O)c2c1)=S |
| Stereo: | ACHIRAL |
| logP: | 7.4044 |
| logD: | 7.4044 |
| logSw: | -6.5808 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.603 |
| InChI Key: | KIJOKCYPKWBUAU-UHFFFAOYSA-N |