4-chloro-N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide
Chemical Structure Depiction of
4-chloro-N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide
4-chloro-N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide
Compound characteristics
| Compound ID: | C679-3999 |
| Compound Name: | 4-chloro-N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide |
| Molecular Weight: | 426.88 |
| Molecular Formula: | C20 H15 Cl N4 O3 S |
| Smiles: | CC1=NN2C(=NC(COc3cccc(c3)NC(c3ccc(cc3)[Cl])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.7791 |
| logD: | 3.7709 |
| logSw: | -4.41 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.034 |
| InChI Key: | XYNAFBZQKXTYGI-UHFFFAOYSA-N |