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-(3-methylphenoxy)propanamide
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-(3-methylphenoxy)propanamide
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-(3-methylphenoxy)propanamide
Compound characteristics
| Compound ID: | G566-0427 |
| 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-(3-methylphenoxy)propanamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C20 H19 N5 O4 S2 |
| Smiles: | CC(C(Nc1nnc(SCC2=CC(N3C(C=C(C)O3)=N2)=O)s1)=O)Oc1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2963 |
| logD: | 3.2933 |
| logSw: | -3.4309 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.217 |
| InChI Key: | GAYYDUSVVJPTDS-ZDUSSCGKSA-N |