5-[(3-chloro-2-methylanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(3-chloro-2-methylanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(3-chloro-2-methylanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0150 |
| Compound Name: | 5-[(3-chloro-2-methylanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 408.89 |
| Molecular Formula: | C21 H21 Cl N6 O |
| Smiles: | Cc1ccc(CNc2nc3NC(CNc4cccc(c4C)[Cl])=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1574 |
| logD: | 3.8717 |
| logSw: | -4.2465 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.518 |
| InChI Key: | AKZNFKFZGZOSGB-UHFFFAOYSA-N |