ethyl 2-(1-benzoyl-2,2,6,7-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-2H-1,3-dithiole-4-carboxylate
Chemical Structure Depiction of
ethyl 2-(1-benzoyl-2,2,6,7-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-2H-1,3-dithiole-4-carboxylate
ethyl 2-(1-benzoyl-2,2,6,7-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-2H-1,3-dithiole-4-carboxylate
Compound characteristics
| Compound ID: | 3389-0811 |
| Compound Name: | ethyl 2-(1-benzoyl-2,2,6,7-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-2H-1,3-dithiole-4-carboxylate |
| Molecular Weight: | 571.78 |
| Molecular Formula: | C32 H29 N O3 S3 |
| Smiles: | CCOC(C1=C(c2ccccc2)S/C(=C2C(C(C)(C)N(C(c3ccccc3)=O)c3cc(C)c(C)cc\23)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.2522 |
| logD: | 8.2522 |
| logSw: | -5.7368 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 34.917 |
| InChI Key: | KGALHGYBSBDADS-UHFFFAOYSA-N |