N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]propanamide
Chemical Structure Depiction of
N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]propanamide
N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]propanamide
Compound characteristics
| Compound ID: | G072-1085 |
| Compound Name: | N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]propanamide |
| Molecular Weight: | 388.51 |
| Molecular Formula: | C18 H20 N4 O2 S2 |
| Smiles: | CCC(Nc1ccccc1SCC1=CC(N2C(=N1)SC(C(C)C)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0176 |
| logD: | 3.0136 |
| logSw: | -3.3745 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.722 |
| InChI Key: | LOAONGVJEMVYPF-UHFFFAOYSA-N |