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-[5-methyl-2-(propan-2-yl)phenoxy]acetamide
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-[5-methyl-2-(propan-2-yl)phenoxy]acetamide
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-[5-methyl-2-(propan-2-yl)phenoxy]acetamide
Compound characteristics
| Compound ID: | G566-0414 |
| 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-[5-methyl-2-(propan-2-yl)phenoxy]acetamide |
| Molecular Weight: | 485.58 |
| Molecular Formula: | C22 H23 N5 O4 S2 |
| Smiles: | CC(C)c1ccc(C)cc1OCC(Nc1nnc(SCC2=CC(N3C(C=C(C)O3)=N2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2758 |
| logD: | 4.2741 |
| logSw: | -4.2703 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.8 |
| InChI Key: | NWNGKRCBGKYKAR-UHFFFAOYSA-N |