N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylbutanamide
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)-2-phenylbutanamide
N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylbutanamide
Compound characteristics
| Compound ID: | G072-2482 |
| 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)-2-phenylbutanamide |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C20 H19 N5 O3 S2 |
| Smiles: | CCC(C(Nc1nnc(SCC2=CC(N3C(C=C(C)O3)=N2)=O)s1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5055 |
| logD: | 3.4885 |
| logSw: | -3.6893 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.428 |
| InChI Key: | IAPKVLSYYMBZJR-OAHLLOKOSA-N |