[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-(2-phenylbutanamido)benzoate
Chemical Structure Depiction of
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-(2-phenylbutanamido)benzoate
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-(2-phenylbutanamido)benzoate
Compound characteristics
| Compound ID: | G357-0405 |
| Compound Name: | [5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-(2-phenylbutanamido)benzoate |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C26 H26 N4 O4 S |
| Smiles: | CCC(C(Nc1cccc(c1)C(=O)OCC1=CC(N2C(=N1)SC(C(C)C)=N2)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2336 |
| logD: | 5.2252 |
| logSw: | -5.0051 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.491 |
| InChI Key: | LAAXHVCERSHQTL-OAQYLSRUSA-N |