1-(7-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)pentan-1-one
Chemical Structure Depiction of
1-(7-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)pentan-1-one
1-(7-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)pentan-1-one
Compound characteristics
| Compound ID: | Y020-5357 |
| Compound Name: | 1-(7-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)pentan-1-one |
| Molecular Weight: | 379.56 |
| Molecular Formula: | C18 H21 N O2 S3 |
| Smiles: | CCCCC(N1c2cc(ccc2C2=C(C1(C)C)SSC2=S)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7326 |
| logD: | 4.7326 |
| logSw: | -4.6503 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 21.7223 |
| InChI Key: | IMUJXPLMHVFOKO-UHFFFAOYSA-N |