6-[(4-chlorophenyl)methyl]-2-[(4-methoxyanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-2-[(4-methoxyanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-[(4-chlorophenyl)methyl]-2-[(4-methoxyanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1582 |
| Compound Name: | 6-[(4-chlorophenyl)methyl]-2-[(4-methoxyanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 409.87 |
| Molecular Formula: | C21 H20 Cl N5 O2 |
| Smiles: | CC1=C(Cc2ccc(cc2)[Cl])C(n2c(N1)nc(CNc1ccc(cc1)OC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9318 |
| logD: | 2.8114 |
| logSw: | -4.4064 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.02 |
| InChI Key: | OWLJSHMGYQGAML-UHFFFAOYSA-N |