2-(3,4-dimethylphenoxy)-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)acetamide
Chemical Structure Depiction of
2-(3,4-dimethylphenoxy)-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)acetamide
2-(3,4-dimethylphenoxy)-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)acetamide
Compound characteristics
| Compound ID: | G072-1056 |
| Compound Name: | 2-(3,4-dimethylphenoxy)-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)acetamide |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C23 H22 N4 O3 S2 |
| Smiles: | CC1=NN2C(=NC(CSc3ccccc3NC(COc3ccc(C)c(C)c3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.3846 |
| logD: | 4.3822 |
| logSw: | -4.3024 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.123 |
| InChI Key: | LKYDBQPFFVXZFA-UHFFFAOYSA-N |