dimethyl 2-(2,2-dimethyl-1-propanoyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-(2,2-dimethyl-1-propanoyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-(2,2-dimethyl-1-propanoyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
Compound ID: | 2932-0360 |
Compound Name: | dimethyl 2-(2,2-dimethyl-1-propanoyl-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: | CCC(N1c2ccccc2C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)C(C1(C)C)=S)=O |
Stereo: | ACHIRAL |
logP: | 4.2666 |
logD: | 4.2666 |
logSw: | -4.4032 |
Hydrogen bond acceptors count: | 12 |
Polar surface area: | 56.526 |
InChI Key: | AOXNSTIRESZFLM-UHFFFAOYSA-N |