3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)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-(2-fluorophenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0466 |
| Compound Name: | 3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 542.69 |
| Molecular Formula: | C24 H19 F N4 O2 S4 |
| Smiles: | CCOc1ccccc1N1C2=C(C(N(C(=N2)SCc2csc(C)n2)c2ccccc2F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.4736 |
| logD: | 5.4736 |
| logSw: | -5.4245 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 43.87 |
| InChI Key: | NYOJJWHPOWDEAG-UHFFFAOYSA-N |