5-[(2-chloroanilino)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2-chloroanilino)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2-chloroanilino)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0230 |
| Compound Name: | 5-[(2-chloroanilino)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 410.86 |
| Molecular Formula: | C20 H19 Cl N6 O2 |
| Smiles: | COc1ccc(CNc2nc3NC(CNc4ccccc4[Cl])=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0187 |
| logD: | 2.7329 |
| logSw: | -3.5326 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.061 |
| InChI Key: | NMKAJQVUKWKILQ-UHFFFAOYSA-N |