2-[(4,5-dihydro-1,3-thiazol-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-[(4,5-dihydro-1,3-thiazol-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-[(4,5-dihydro-1,3-thiazol-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: | 3389-2183 |
| Compound Name: | 2-[(4,5-dihydro-1,3-thiazol-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: | 438.67 |
| Molecular Formula: | C18 H18 N2 O S5 |
| Smiles: | Cc1ccc2c(c1)C1=C(C(C)(C)N2C(CSC2=NCCS2)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.4082 |
| logD: | 4.4064 |
| logSw: | -4.3118 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 23.6207 |
| InChI Key: | GHNYZHCIEGHOSU-UHFFFAOYSA-N |