ethyl 2-[1-(4-fluorobenzoyl)-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-2H-1,3-dithiole-4-carboxylate
Chemical Structure Depiction of
ethyl 2-[1-(4-fluorobenzoyl)-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-2H-1,3-dithiole-4-carboxylate
ethyl 2-[1-(4-fluorobenzoyl)-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-2H-1,3-dithiole-4-carboxylate
Compound characteristics
| Compound ID: | 3389-0954 |
| Compound Name: | ethyl 2-[1-(4-fluorobenzoyl)-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-2H-1,3-dithiole-4-carboxylate |
| Molecular Weight: | 575.74 |
| Molecular Formula: | C31 H26 F N O3 S3 |
| Smiles: | CCOC(C1=C(c2ccccc2)S/C(=C2C(C(C)(C)N(C(c3ccc(cc3)F)=O)c3ccc(C)cc\23)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8261 |
| logD: | 7.8261 |
| logSw: | -5.7215 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 34.917 |
| InChI Key: | MKZJOHQTBXDLIG-UHFFFAOYSA-N |