1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)butan-1-one
Chemical Structure Depiction of
1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)butan-1-one
1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)butan-1-one
Compound characteristics
| Compound ID: | 3389-0700 |
| Compound Name: | 1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)butan-1-one |
| Molecular Weight: | 379.56 |
| Molecular Formula: | C18 H21 N O2 S3 |
| Smiles: | CCCC(N1c2ccc(cc2C2=C(C1(C)C)SSC2=S)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6642 |
| logD: | 4.6642 |
| logSw: | -4.5263 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 21.3021 |
| InChI Key: | ILXIYKSENZQTOO-UHFFFAOYSA-N |