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)-2-(2-fluorophenoxy)acetamide
Chemical Structure Depiction of
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)-2-(2-fluorophenoxy)acetamide
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)-2-(2-fluorophenoxy)acetamide
Compound characteristics
| Compound ID: | G647-2915 |
| Compound Name: | 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)-2-(2-fluorophenoxy)acetamide |
| Molecular Weight: | 461.49 |
| Molecular Formula: | C18 H16 F N7 O3 S2 |
| Smiles: | CCC1NC2=NC(CSc3nnc(NC(COc4ccccc4F)=O)s3)=CC(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7775 |
| logD: | 2.7775 |
| logSw: | -3.3257 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.575 |
| InChI Key: | XDHANUIYKNQKNP-UHFFFAOYSA-N |