6-benzyl-2-[(5-chloro-2-methylanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-benzyl-2-[(5-chloro-2-methylanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-benzyl-2-[(5-chloro-2-methylanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1473 |
| Compound Name: | 6-benzyl-2-[(5-chloro-2-methylanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 393.87 |
| Molecular Formula: | C21 H20 Cl N5 O |
| Smiles: | CC1=C(Cc2ccccc2)C(n2c(N1)nc(CNc1cc(ccc1C)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1806 |
| logD: | 3.0603 |
| logSw: | -4.4703 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.779 |
| InChI Key: | MGMFEDYODOUQEA-UHFFFAOYSA-N |