2-[(4,5-dihydro-1,3-thiazol-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-[(4,5-dihydro-1,3-thiazol-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-[(4,5-dihydro-1,3-thiazol-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: | 3389-2180 |
| Compound Name: | 2-[(4,5-dihydro-1,3-thiazol-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: | 468.7 |
| Molecular Formula: | C19 H20 N2 O2 S5 |
| Smiles: | CCOc1ccc2c(c1)C1=C(C(C)(C)N2C(CSC2=NCCS2)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.5046 |
| logD: | 4.5028 |
| logSw: | -4.3066 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 30.7443 |
| InChI Key: | NETSIAIKOPCTAH-UHFFFAOYSA-N |