N-(3-acetylphenyl)-2-[2-(4-chlorophenyl)-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-[2-(4-chlorophenyl)-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetamide
N-(3-acetylphenyl)-2-[2-(4-chlorophenyl)-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetamide
Compound characteristics
| Compound ID: | D475-1316 |
| Compound Name: | N-(3-acetylphenyl)-2-[2-(4-chlorophenyl)-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetamide |
| Molecular Weight: | 435.87 |
| Molecular Formula: | C22 H18 Cl N5 O3 |
| Smiles: | CC1=CC(n2c(nc(c3ccc(cc3)[Cl])n2)N1CC(Nc1cccc(c1)C(C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6954 |
| logD: | 3.6952 |
| logSw: | -4.2005 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.321 |
| InChI Key: | CBFXVJKIKRXAMP-UHFFFAOYSA-N |