5-[(5-chloro-2-methoxyanilino)methyl]-2-{[(4-ethylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(5-chloro-2-methoxyanilino)methyl]-2-{[(4-ethylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(5-chloro-2-methoxyanilino)methyl]-2-{[(4-ethylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0476 |
| Compound Name: | 5-[(5-chloro-2-methoxyanilino)methyl]-2-{[(4-ethylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 438.92 |
| Molecular Formula: | C22 H23 Cl N6 O2 |
| Smiles: | CCc1ccc(CNc2nc3NC(CNc4cc(ccc4OC)[Cl])=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1037 |
| logD: | 3.8179 |
| logSw: | -4.418 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.148 |
| InChI Key: | RWRRMYABSIWOMR-UHFFFAOYSA-N |