2-[(1,3-benzoxazol-2-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-[(1,3-benzoxazol-2-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-[(1,3-benzoxazol-2-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: | 3807-4143 |
| Compound Name: | 2-[(1,3-benzoxazol-2-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: | 470.65 |
| Molecular Formula: | C22 H18 N2 O2 S4 |
| Smiles: | Cc1ccc2c(c1)C1=C(C(C)(C)N2C(CSc2nc3ccccc3o2)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.6077 |
| logD: | 5.6077 |
| logSw: | -5.4401 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 30.5703 |
| InChI Key: | PXYAWAZODALUQO-UHFFFAOYSA-N |