2-ethyl-N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]butanamide
Chemical Structure Depiction of
2-ethyl-N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]butanamide
2-ethyl-N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]butanamide
Compound characteristics
| Compound ID: | G072-1174 |
| Compound Name: | 2-ethyl-N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]butanamide |
| Molecular Weight: | 444.62 |
| Molecular Formula: | C22 H28 N4 O2 S2 |
| Smiles: | CCC(CC)C(Nc1ccccc1SCC1=CC(N2C(=N1)SC(CC(C)C)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8181 |
| logD: | 4.8169 |
| logSw: | -4.3719 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.839 |
| InChI Key: | LPEDQAOSNLFNGA-UHFFFAOYSA-N |