1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-propylpentan-1-one
Chemical Structure Depiction of
1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-propylpentan-1-one
1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-propylpentan-1-one
Compound characteristics
Compound ID: | 8015-4132 |
Compound Name: | 1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-propylpentan-1-one |
Molecular Weight: | 421.64 |
Molecular Formula: | C21 H27 N O2 S3 |
Smiles: | CCCC(CCC)C(N1c2ccc(cc2C2=C(C1(C)C)SSC2=S)OC)=O |
Stereo: | ACHIRAL |
logP: | 6.2111 |
logD: | 6.2111 |
logSw: | -5.5782 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 22.2497 |
InChI Key: | YMNOZLGCTJTMPY-UHFFFAOYSA-N |