5-[(5-chloro-2-methoxyanilino)methyl]-2-{[(4-methylphenyl)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-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(5-chloro-2-methoxyanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0126 |
| Compound Name: | 5-[(5-chloro-2-methoxyanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 424.89 |
| Molecular Formula: | C21 H21 Cl N6 O2 |
| Smiles: | Cc1ccc(CNc2nc3NC(CNc4cc(ccc4OC)[Cl])=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5965 |
| logD: | 3.3106 |
| logSw: | -3.9024 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.148 |
| InChI Key: | QWPCYHBVRMEJBL-UHFFFAOYSA-N |