6-benzyl-2-{[(3-chlorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-benzyl-2-{[(3-chlorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-benzyl-2-{[(3-chlorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D043-0109 |
| Compound Name: | 6-benzyl-2-{[(3-chlorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 379.85 |
| Molecular Formula: | C20 H18 Cl N5 O |
| Smiles: | CC1=C(Cc2ccccc2)C(n2c(N1)nc(NCc1cccc(c1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9883 |
| logD: | 3.9768 |
| logSw: | -4.2653 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.62 |
| InChI Key: | ZJYSQSOCUATSOV-UHFFFAOYSA-N |