1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2,2,2-trifluoroethan-1-one
Chemical Structure Depiction of
1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2,2,2-trifluoroethan-1-one
1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2,2,2-trifluoroethan-1-one
Compound characteristics
| Compound ID: | 3389-0242 |
| Compound Name: | 1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2,2,2-trifluoroethan-1-one |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C16 H14 F3 N O2 S3 |
| Smiles: | CCOc1ccc2c(c1)C1=C(C(C)(C)N2C(C(F)(F)F)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.2955 |
| logD: | 4.2955 |
| logSw: | -4.4036 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 21.8295 |
| InChI Key: | TUOPYNONLCFUJU-UHFFFAOYSA-N |