N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(4-methylphenoxy)propanamide
Chemical Structure Depiction of
N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(4-methylphenoxy)propanamide
N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(4-methylphenoxy)propanamide
Compound characteristics
| Compound ID: | F527-0653 |
| Compound Name: | N-{[2-(2-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(4-methylphenoxy)propanamide |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C22 H19 Cl N4 O3 S |
| Smiles: | CC(C(NCC1=CC(N2C(=N1)SC(c1ccccc1[Cl])=N2)=O)=O)Oc1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7078 |
| logD: | 3.7075 |
| logSw: | -4.0188 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.473 |
| InChI Key: | HCYLFSVMRGELER-AWEZNQCLSA-N |