1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 3807-4427 |
| Compound Name: | 1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 436.59 |
| Molecular Formula: | C17 H16 N4 O2 S4 |
| Smiles: | CC1(C)C2=C(C(=S)SS2)c2cc(ccc2N1C(CSc1nnc[nH]1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.3905 |
| logD: | 2.036 |
| logSw: | -2.918 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.876 |
| InChI Key: | DARGOVLICVDIFQ-UHFFFAOYSA-N |