2,2-dimethyl-N-[2-({[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]propanamide
Chemical Structure Depiction of
2,2-dimethyl-N-[2-({[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]propanamide
2,2-dimethyl-N-[2-({[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]propanamide
Compound characteristics
| Compound ID: | G072-1277 |
| Compound Name: | 2,2-dimethyl-N-[2-({[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]propanamide |
| Molecular Weight: | 444.62 |
| Molecular Formula: | C22 H28 N4 O2 S2 |
| Smiles: | CCC(CC)C1=NN2C(=NC(CSc3ccccc3NC(C(C)(C)C)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.8482 |
| logD: | 4.8467 |
| logSw: | -4.4876 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.936 |
| InChI Key: | GQXZBKUJEMAAMA-UHFFFAOYSA-N |