2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4,4,7-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4,4,7-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4,4,7-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Compound characteristics
| Compound ID: | 4477-0939 |
| Compound Name: | 2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4,4,7-trimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one |
| Molecular Weight: | 420.59 |
| Molecular Formula: | C17 H16 N4 O S4 |
| Smiles: | Cc1ccc2C3=C(C(C)(C)N(C(CSc4nnc[nH]4)=O)c2c1)SSC3=S |
| Stereo: | ACHIRAL |
| logP: | 2.6888 |
| logD: | 2.3343 |
| logSw: | -3.1953 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.332 |
| InChI Key: | QWNWDLHBLVRJJV-UHFFFAOYSA-N |