N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2-(4-methylphenoxy)acetamide
Chemical Structure Depiction of
N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2-(4-methylphenoxy)acetamide
N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2-(4-methylphenoxy)acetamide
Compound characteristics
| Compound ID: | G072-1139 |
| Compound Name: | N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2-(4-methylphenoxy)acetamide |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C23 H22 N4 O3 S2 |
| Smiles: | CCC1=NN2C(=NC(CSc3ccccc3NC(COc3ccc(C)cc3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.143 |
| logD: | 4.1398 |
| logSw: | -4.0994 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.853 |
| InChI Key: | ZHQKCEUEFUXVKO-UHFFFAOYSA-N |