5-[(4-chloroanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(4-chloroanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(4-chloroanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
Compound ID: | D412-0139 |
Compound Name: | 5-[(4-chloroanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
Molecular Weight: | 394.86 |
Molecular Formula: | C20 H19 Cl N6 O |
Smiles: | Cc1ccc(CNc2nc3NC(CNc4ccc(cc4)[Cl])=CC(n3n2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.7056 |
logD: | 3.4198 |
logSw: | -4.174 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 73.215 |
InChI Key: | GNACUAMYSJIZSI-UHFFFAOYSA-N |