2-[(5-phenyl-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-[(5-phenyl-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-[(5-phenyl-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: | 4151-0497 |
| Compound Name: | 2-[(5-phenyl-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: | 496.69 |
| Molecular Formula: | C23 H20 N4 O S4 |
| Smiles: | Cc1ccc2c(c1)C1=C(C(C)(C)N2C(CSc2nnc(c3ccccc3)[nH]2)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.6981 |
| logD: | 3.5064 |
| logSw: | -4.4366 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.414 |
| InChI Key: | WBBZBJQHHHTOBW-UHFFFAOYSA-N |