1-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-phenoxyethan-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-phenoxyethan-1-one
1-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | 3389-0631 |
| Compound Name: | 1-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-phenoxyethan-1-one |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C20 H17 N O2 S3 |
| Smiles: | CC1(C)C2=C(C(=S)SS2)c2ccccc2N1C(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.225 |
| logD: | 4.225 |
| logSw: | -4.3885 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 21.4061 |
| InChI Key: | RIMPTFXOMUFOJN-UHFFFAOYSA-N |