1-(4,4,7,8-tetramethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4,4,7,8-tetramethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(4,4,7,8-tetramethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 3807-4429 |
| Compound Name: | 1-(4,4,7,8-tetramethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 434.62 |
| Molecular Formula: | C18 H18 N4 O S4 |
| Smiles: | Cc1cc2C3=C(C(C)(C)N(C(CSc4nnc[nH]4)=O)c2cc1C)SSC3=S |
| Stereo: | ACHIRAL |
| logP: | 3.2417 |
| logD: | 2.8872 |
| logSw: | -3.6234 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.332 |
| InChI Key: | WLYXCVOMWKGGFI-UHFFFAOYSA-N |