1-[5-phenyl-2-(2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiol-4-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-phenyl-2-(2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiol-4-yl]ethan-1-one
1-[5-phenyl-2-(2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiol-4-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y020-0067 |
| Compound Name: | 1-[5-phenyl-2-(2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiol-4-yl]ethan-1-one |
| Molecular Weight: | 423.62 |
| Molecular Formula: | C23 H21 N O S3 |
| Smiles: | CC(C1=C(c2ccccc2)S/C(=C2C(C(C)(C)Nc3cc(C)ccc\23)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9681 |
| logD: | 5.9681 |
| logSw: | -5.5593 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.4372 |
| InChI Key: | XVXAZRKWTWDOHV-UHFFFAOYSA-N |