N-(2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-4-chlorobenzamide
Chemical Structure Depiction of
N-(2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-4-chlorobenzamide
N-(2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-4-chlorobenzamide
Compound characteristics
| Compound ID: | G072-1194 |
| Compound Name: | N-(2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-4-chlorobenzamide |
| Molecular Weight: | 485.03 |
| Molecular Formula: | C23 H21 Cl N4 O2 S2 |
| Smiles: | CCCCC1=NN2C(=NC(CSc3ccccc3NC(c3ccc(cc3)[Cl])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.4545 |
| logD: | 5.4529 |
| logSw: | -5.9422 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.568 |
| InChI Key: | IEYNIOKRXSOLJZ-UHFFFAOYSA-N |