N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]-2-phenylbutanamide
Chemical Structure Depiction of
N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]-2-phenylbutanamide
N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]-2-phenylbutanamide
Compound characteristics
| Compound ID: | G072-1190 |
| Compound Name: | N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]-2-phenylbutanamide |
| Molecular Weight: | 492.66 |
| Molecular Formula: | C26 H28 N4 O2 S2 |
| Smiles: | CCC(C(Nc1ccccc1SCC1=CC(N2C(=N1)SC(CC(C)C)=N2)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6968 |
| logD: | 5.6956 |
| logSw: | -5.4347 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.568 |
| InChI Key: | PWXMQHPLYRAONN-HXUWFJFHSA-N |