2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-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-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-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-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-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: | 3807-4549 |
| Compound Name: | 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-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: | 434.62 |
| Molecular Formula: | C18 H18 N4 O S4 |
| Smiles: | Cc1ccc2c(c1)C1=C(C(C)(C)N2C(CSc2nncn2C)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.1382 |
| logD: | 3.1382 |
| logSw: | -3.4004 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 39.673 |
| InChI Key: | HIFBDKHQIUFIBF-UHFFFAOYSA-N |