1-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-phenylpropan-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)-3-phenylpropan-1-one
1-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | Y020-9990 |
| Compound Name: | 1-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-phenylpropan-1-one |
| Molecular Weight: | 397.58 |
| Molecular Formula: | C21 H19 N O S3 |
| Smiles: | CC1(C)C2=C(C(=S)SS2)c2ccccc2N1C(CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9683 |
| logD: | 4.9683 |
| logSw: | -4.6914 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 13.907 |
| InChI Key: | ZETPGSWDRUSIGL-UHFFFAOYSA-N |