2-[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]-1-(8-methoxy-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-methoxy-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-methoxy-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: | 3389-2181 |
| Compound Name: | 2-[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]-1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one |
| Molecular Weight: | 454.67 |
| Molecular Formula: | C18 H18 N2 O2 S5 |
| Smiles: | CC1(C)C2=C(C(=S)SS2)c2cc(ccc2N1C(CSC1=NCCS1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1171 |
| logD: | 4.1154 |
| logSw: | -4.2998 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 31.1644 |
| InChI Key: | MRNSPSQQPKMBEJ-UHFFFAOYSA-N |