2-(3,4-dimethylphenoxy)-N-(5-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-(3,4-dimethylphenoxy)-N-(5-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
2-(3,4-dimethylphenoxy)-N-(5-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | G647-2913 |
| Compound Name: | 2-(3,4-dimethylphenoxy)-N-(5-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 471.56 |
| Molecular Formula: | C20 H21 N7 O3 S2 |
| Smiles: | CCC1NC2=NC(CSc3nnc(NC(COc4ccc(C)c(C)c4)=O)s3)=CC(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7357 |
| logD: | 3.7357 |
| logSw: | -3.8968 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.488 |
| InChI Key: | AEFQGLHPAXVEIA-UHFFFAOYSA-N |