2-ethyl-1-(8-methoxy-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
2-ethyl-1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)butan-1-one
2-ethyl-1-(8-methoxy-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: | 3652-0138 |
| Compound Name: | 2-ethyl-1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)butan-1-one |
| Molecular Weight: | 393.59 |
| Molecular Formula: | C19 H23 N O2 S3 |
| Smiles: | CCC(CC)C(N1c2ccc(cc2C2=C(C1(C)C)SSC2=S)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9921 |
| logD: | 4.9921 |
| logSw: | -4.7178 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 22.2497 |
| InChI Key: | MPVGDVNLYWXIII-UHFFFAOYSA-N |