N-(5-{[(2-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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: | G072-2038 |
| Compound Name: | N-(5-{[(2-cyclopropyl-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: | 490.56 |
| Molecular Formula: | C19 H15 F N6 O3 S3 |
| Smiles: | C1CC1C1=NN2C(=NC(CSc3nnc(NC(COc4ccccc4F)=O)s3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.9305 |
| logD: | 3.9255 |
| logSw: | -4.2196 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.892 |
| InChI Key: | XBNQTBKHGKRDPW-UHFFFAOYSA-N |