diethyl 2-(1-butanoyl-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 2-(1-butanoyl-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
diethyl 2-(1-butanoyl-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3807-5016 |
| Compound Name: | diethyl 2-(1-butanoyl-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 519.7 |
| Molecular Formula: | C25 H29 N O5 S3 |
| Smiles: | CCCC(N1c2cc(C)ccc2C(=C2SC(=C(C(=O)OCC)S2)C(=O)OCC)C(C1(C)C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1409 |
| logD: | 6.1409 |
| logSw: | -5.4946 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 55.686 |
| InChI Key: | UEILBVYOBRZOQV-UHFFFAOYSA-N |