2-(4-fluorophenyl)-1-(7-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Chemical Structure Depiction of
2-(4-fluorophenyl)-1-(7-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
2-(4-fluorophenyl)-1-(7-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y021-0029 |
| Compound Name: | 2-(4-fluorophenyl)-1-(7-methoxy-4,4-dimethyl-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: | CC1(C)C2=C(C(=S)SS2)c2ccc(cc2N1C(Cc1ccc(cc1)F)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9151 |
| logD: | 4.9151 |
| logSw: | -4.7612 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 21.4507 |
| InChI Key: | VRFHORQNOOLRDS-UHFFFAOYSA-N |