6-benzyl-2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-benzyl-2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-benzyl-2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D043-0120 |
| Compound Name: | 6-benzyl-2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 350.81 |
| Molecular Formula: | C19 H15 Cl N4 O |
| Smiles: | CC1=C(Cc2ccccc2)C(n2c(N1)nc(c1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4682 |
| logD: | 4.4608 |
| logSw: | -4.7151 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.98 |
| InChI Key: | FSXSOGFLYQZBBJ-UHFFFAOYSA-N |