3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-2372 |
| Compound Name: | 3-(4-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 522.64 |
| Molecular Formula: | C25 H19 F N4 O2 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(N(C(=N2)SCc2cccnc2)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.6182 |
| logD: | 4.6055 |
| logSw: | -4.0733 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 43.596 |
| InChI Key: | BIENXLUPQUPDPK-UHFFFAOYSA-N |