5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0473 |
| Compound Name: | 5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 517.62 |
| Molecular Formula: | C23 H20 F N3 O4 S3 |
| Smiles: | CCOc1ccccc1N1C2=C(C(N(C(=N2)SCC2OCCO2)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.8803 |
| logD: | 3.8803 |
| logSw: | -3.9636 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 51.402 |
| InChI Key: | OQLWTFJRGAYGGL-UHFFFAOYSA-N |