4-chloro-N-[2-({[5-oxo-2-(pentan-3-yl)-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-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide
4-chloro-N-[2-({[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide
Compound characteristics
| Compound ID: | G072-1267 |
| Compound Name: | 4-chloro-N-[2-({[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide |
| Molecular Weight: | 499.05 |
| Molecular Formula: | C24 H23 Cl N4 O2 S2 |
| Smiles: | CCC(CC)C1=NN2C(=NC(CSc3ccccc3NC(c3ccc(cc3)[Cl])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.8519 |
| logD: | 5.8492 |
| logSw: | -6.0784 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.664 |
| InChI Key: | KQXPERIFKJYAES-UHFFFAOYSA-N |