ethyl 2-(1-butanoyl-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-butanoyl-2,2,6,7-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-2H-1,3-dithiole-4-carboxylate
ethyl 2-(1-butanoyl-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: | 3389-0810 |
| Compound Name: | ethyl 2-(1-butanoyl-2,2,6,7-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-2H-1,3-dithiole-4-carboxylate |
| Molecular Weight: | 537.76 |
| Molecular Formula: | C29 H31 N O3 S3 |
| Smiles: | CCCC(N1c2cc(C)c(C)cc2\C(=C2SC(=C(c3ccccc3)S/2)C(=O)OCC)C(C1(C)C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 7.9662 |
| logD: | 7.9662 |
| logSw: | -5.7683 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 34.661 |
| InChI Key: | CHSCOKNTZUPNSA-UHFFFAOYSA-N |