ethyl 4-{[3-(2,4-dimethylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{[3-(2,4-dimethylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
ethyl 4-{[3-(2,4-dimethylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | K286-2645 |
| Compound Name: | ethyl 4-{[3-(2,4-dimethylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 543.66 |
| Molecular Formula: | C25 H22 F N3 O4 S3 |
| Smiles: | CCOC(CC(CSC1=NC2=C(C(N1c1ccc(cc1)F)=O)SC(N2c1ccc(C)cc1C)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8784 |
| logD: | 4.8783 |
| logSw: | -4.6623 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 59.839 |
| InChI Key: | AQTDXVPIJKMDJS-UHFFFAOYSA-N |