1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-{[5-(4-methylphenyl)-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-{[5-(4-methylphenyl)-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-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 4151-0498 |
| Compound Name: | 1-(8-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 526.72 |
| Molecular Formula: | C24 H22 N4 O2 S4 |
| Smiles: | Cc1ccc(cc1)c1nnc([nH]1)SCC(N1c2ccc(cc2C2=C(C1(C)C)SSC2=S)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9355 |
| logD: | 3.7589 |
| logSw: | -4.5952 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.958 |
| InChI Key: | DLAUXSQRNHOSQP-UHFFFAOYSA-N |