(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)methanone
Chemical Structure Depiction of
(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)methanone
(8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)methanone
Compound characteristics
| Compound ID: | 3390-0003 |
| Compound Name: | (8-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)methanone |
| Molecular Weight: | 549.75 |
| Molecular Formula: | C27 H23 N3 O2 S4 |
| Smiles: | CCOc1ccc2c(c1)C1=C(C(C)(C)N2C(c2cc3c(C)nn(c4ccccc4)c3s2)=O)SSC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.3489 |
| logD: | 6.3489 |
| logSw: | -5.6837 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 36.333 |
| InChI Key: | KXWWKDDIBDZPIS-UHFFFAOYSA-N |