2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Chemical Structure Depiction of
2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y500-0625 |
| Compound Name: | 2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one |
| Molecular Weight: | 500.74 |
| Molecular Formula: | C23 H20 N2 O S5 |
| Smiles: | Cc1cc2C3=C(C(C)(C)N(C(CSc4nc5ccccc5s4)=O)c2cc1C)SSC3=S |
| Stereo: | ACHIRAL |
| logP: | 6.7019 |
| logD: | 6.7019 |
| logSw: | -5.6681 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 22.9884 |
| InChI Key: | REEILAYLMKGEEE-UHFFFAOYSA-N |