N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | P032-2130 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
| Molecular Weight: | 423.86 |
| Molecular Formula: | C21 H18 Cl N5 O3 |
| Smiles: | CC1=NC(=CC2=NN(CC(Nc3ccc(c(c3)[Cl])OC)=O)C(N12)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4445 |
| logD: | 3.4339 |
| logSw: | -3.8753 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.769 |
| InChI Key: | AOTGKCJMWVLDNJ-UHFFFAOYSA-N |