2-phenoxy-1-(4,4,6-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Chemical Structure Depiction of
2-phenoxy-1-(4,4,6-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
2-phenoxy-1-(4,4,6-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y020-9993 |
| Compound Name: | 2-phenoxy-1-(4,4,6-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one |
| Molecular Weight: | 413.58 |
| Molecular Formula: | C21 H19 N O2 S3 |
| Smiles: | Cc1cccc2C3=C(C(C)(C)N(C(COc4ccccc4)=O)c12)SSC3=S |
| Stereo: | ACHIRAL |
| logP: | 4.5705 |
| logD: | 4.5705 |
| logSw: | -4.5926 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 22.5633 |
| InChI Key: | VTHNURMHBFSDHG-UHFFFAOYSA-N |