6-benzyl-2-[(5-chloro-2-methoxyanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-benzyl-2-[(5-chloro-2-methoxyanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-benzyl-2-[(5-chloro-2-methoxyanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1466 |
| Compound Name: | 6-benzyl-2-[(5-chloro-2-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(Cc2ccccc2)C(n2c(N1)nc(CNc1cc(ccc1OC)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8403 |
| logD: | 2.7199 |
| logSw: | -4.3006 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.409 |
| InChI Key: | VWNOCHNNCQUCCW-UHFFFAOYSA-N |