N-(5-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenoxy)acetamide
Chemical Structure Depiction of
N-(5-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenoxy)acetamide
N-(5-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenoxy)acetamide
Compound characteristics
| Compound ID: | G072-1962 |
| Compound Name: | N-(5-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenoxy)acetamide |
| Molecular Weight: | 478.54 |
| Molecular Formula: | C18 H15 F N6 O3 S3 |
| Smiles: | CCC1=NN2C(=NC(CSc3nnc(NC(COc4ccccc4F)=O)s3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.6813 |
| logD: | 3.6765 |
| logSw: | -3.9709 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.544 |
| InChI Key: | JMBQVLVPMFJQRU-UHFFFAOYSA-N |