1-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-ethylbutan-1-one
Chemical Structure Depiction of
1-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-ethylbutan-1-one
1-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-ethylbutan-1-one
Compound characteristics
| Compound ID: | 3652-0137 |
| Compound Name: | 1-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-ethylbutan-1-one |
| Molecular Weight: | 363.56 |
| Molecular Formula: | C18 H21 N O S3 |
| Smiles: | CCC(CC)C(N1c2ccccc2C2=C(C1(C)C)SSC2=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8072 |
| logD: | 4.8072 |
| logSw: | -4.595 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 14.7059 |
| InChI Key: | VBIOYUDJOYPCCT-UHFFFAOYSA-N |