2-(4-methylpiperidin-1-yl)-1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Chemical Structure Depiction of
2-(4-methylpiperidin-1-yl)-1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
2-(4-methylpiperidin-1-yl)-1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Compound characteristics
| Compound ID: | 3785-0096 |
| Compound Name: | 2-(4-methylpiperidin-1-yl)-1-(4,4,8-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one |
| Molecular Weight: | 418.64 |
| Molecular Formula: | C21 H26 N2 O S3 |
| Smiles: | CC1CCN(CC1)CC(N1c2ccc(C)cc2C2=C(C1(C)C)SSC2=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2967 |
| logD: | 4.2948 |
| logSw: | -4.2289 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 17.9111 |
| InChI Key: | AKZJGVGSICJHBX-UHFFFAOYSA-N |