5-[(5-chloro-2-methoxyanilino)methyl]-2-{[(4-methoxyphenyl)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-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(5-chloro-2-methoxyanilino)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0226 |
| Compound Name: | 5-[(5-chloro-2-methoxyanilino)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 440.89 |
| Molecular Formula: | C21 H21 Cl N6 O3 |
| Smiles: | COc1ccc(CNc2nc3NC(CNc4cc(ccc4OC)[Cl])=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1555 |
| logD: | 2.8696 |
| logSw: | -3.6222 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.692 |
| InChI Key: | ZENDPXAWQCDFGA-UHFFFAOYSA-N |