6-[(4-chlorophenyl)methyl]-2-[(2-ethoxyanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-2-[(2-ethoxyanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-[(4-chlorophenyl)methyl]-2-[(2-ethoxyanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1589 |
| Compound Name: | 6-[(4-chlorophenyl)methyl]-2-[(2-ethoxyanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 423.9 |
| Molecular Formula: | C22 H22 Cl N5 O2 |
| Smiles: | CCOc1ccccc1NCc1nc2NC(C)=C(Cc3ccc(cc3)[Cl])C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2131 |
| logD: | 3.0927 |
| logSw: | -4.4731 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.989 |
| InChI Key: | MGIMWIRFDWDTKH-UHFFFAOYSA-N |