N-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(2,6-dimethylphenoxy)acetamide
Chemical Structure Depiction of
N-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(2,6-dimethylphenoxy)acetamide
N-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(2,6-dimethylphenoxy)acetamide
Compound characteristics
| Compound ID: | F527-0716 |
| Compound Name: | N-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-(2,6-dimethylphenoxy)acetamide |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C22 H19 Cl N4 O3 S |
| Smiles: | Cc1cccc(C)c1OCC(NCC1=CC(N2C(=N1)SC(c1cccc(c1)[Cl])=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2882 |
| logD: | 4.2877 |
| logSw: | -4.6055 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.143 |
| InChI Key: | VRSALPVFMWDJCM-UHFFFAOYSA-N |