3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-5-[(2-oxo-2-phenylethyl)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-phenylethyl)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-phenylethyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3829 |
| Compound Name: | 3-(2-ethoxyphenyl)-6-(2-fluorophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 549.66 |
| Molecular Formula: | C27 H20 F N3 O3 S3 |
| Smiles: | CCOc1ccccc1N1C2=C(C(N(C(=N2)SCC(c2ccccc2)=O)c2ccccc2F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.3029 |
| logD: | 5.3029 |
| logSw: | -5.3084 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 46.81 |
| InChI Key: | XJNIIEFNVRVXCD-UHFFFAOYSA-N |