N-benzyl-2-{[3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-benzyl-2-{[3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K286-0462 |
| Compound Name: | N-benzyl-2-{[3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 578.71 |
| Molecular Formula: | C28 H23 F N4 O3 S3 |
| Smiles: | CCOc1ccccc1N1C2=C(C(N(C(=N2)SCC(NCc2ccccc2)=O)c2ccccc2F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.962 |
| logD: | 4.962 |
| logSw: | -4.5488 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.034 |
| InChI Key: | GIKCMNCVEBALPR-UHFFFAOYSA-N |