1-[2-(6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-2H-1,3-dithiol-4-yl]ethan-1-one
Chemical Structure Depiction of
1-[2-(6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-2H-1,3-dithiol-4-yl]ethan-1-one
1-[2-(6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-2H-1,3-dithiol-4-yl]ethan-1-one
Compound characteristics
| Compound ID: | 3807-5481 |
| Compound Name: | 1-[2-(6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-2H-1,3-dithiol-4-yl]ethan-1-one |
| Molecular Weight: | 453.64 |
| Molecular Formula: | C24 H23 N O2 S3 |
| Smiles: | CCOc1ccc2c(c1)\C(=C1SC(=C(c3ccccc3)S/1)C(C)=O)C(C(C)(C)N2)=S |
| Stereo: | ACHIRAL |
| logP: | 6.4499 |
| logD: | 6.4499 |
| logSw: | -5.6971 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.561 |
| InChI Key: | KYKJACLUFQMYCS-UHFFFAOYSA-N |