3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3940 |
| Compound Name: | 3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 566.65 |
| Molecular Formula: | C26 H19 F N4 O4 S3 |
| Smiles: | CCOc1ccccc1N1C2=C(C(N(C(=N2)SCc2cccc(c2)[N+]([O-])=O)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.7235 |
| logD: | 5.7235 |
| logSw: | -5.4279 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 67.245 |
| InChI Key: | OCUJGTOAKVWYGS-UHFFFAOYSA-N |