3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]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-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0468 |
| Compound Name: | 3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 542.67 |
| Molecular Formula: | C25 H23 F N4 O3 S3 |
| Smiles: | CCOc1ccccc1N1C2=C(C(N(C(=N2)SCC(N2CCCC2)=O)c2ccccc2F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.3246 |
| logD: | 4.3246 |
| logSw: | -4.2093 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 50.321 |
| InChI Key: | IPTAJEBSNGCRBT-UHFFFAOYSA-N |