4-chloro-N-(2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
4-chloro-N-(2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzamide
4-chloro-N-(2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | G072-1690 |
| Compound Name: | 4-chloro-N-(2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 471 |
| Molecular Formula: | C22 H19 Cl N4 O2 S2 |
| Smiles: | CCCC1=NN2C(=NC(CSc3ccccc3NC(c3ccc(cc3)[Cl])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.0151 |
| logD: | 5.012 |
| logSw: | -5.1549 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.568 |
| InChI Key: | KEMLRUFPIOMQJJ-UHFFFAOYSA-N |