2-(4-fluorophenoxy)-1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Chemical Structure Depiction of
2-(4-fluorophenoxy)-1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
2-(4-fluorophenoxy)-1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y021-0021 |
| Compound Name: | 2-(4-fluorophenoxy)-1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one |
| Molecular Weight: | 431.57 |
| Molecular Formula: | C21 H18 F N O2 S3 |
| Smiles: | Cc1ccc2c(c1)C1=C(C(C)(C)N2C(COc2ccc(cc2)F)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.7586 |
| logD: | 4.7586 |
| logSw: | -4.6366 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 21.4061 |
| InChI Key: | ZLYWFBQABZNGGZ-UHFFFAOYSA-N |