dimethyl 2-(1-acetyl-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-acetyl-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-(1-acetyl-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 4477-0011 |
| Compound Name: | dimethyl 2-(1-acetyl-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 463.59 |
| Molecular Formula: | C21 H21 N O5 S3 |
| Smiles: | CC(N1c2cc(C)ccc2C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)C(C1(C)C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1495 |
| logD: | 4.1495 |
| logSw: | -4.3543 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 57.521 |
| InChI Key: | NBWFGVIUWOKLIY-UHFFFAOYSA-N |