2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-(8-ethoxy-4,4-dimethyl-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-benzoxazol-2-yl)sulfanyl]-1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Compound characteristics
| Compound ID: | 3807-4500 |
| Compound Name: | 2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one |
| Molecular Weight: | 500.68 |
| Molecular Formula: | C23 H20 N2 O3 S4 |
| Smiles: | CCOc1ccc2c(c1)C1=C(C(C)(C)N2C(CSc2nc3ccccc3o2)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.704 |
| logD: | 5.704 |
| logSw: | -5.4894 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 37.694 |
| InChI Key: | SWUVGJBVWRGLKN-UHFFFAOYSA-N |