N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | G072-2483 |
| Compound Name: | N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C19 H17 N5 O3 S2 |
| Smiles: | CC1=CC2=NC(CSc3nnc(NC(CCc4ccccc4)=O)s3)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.836 |
| logD: | 2.8301 |
| logSw: | -3.4007 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.214 |
| InChI Key: | WEQKGDKFKBNEGW-UHFFFAOYSA-N |