2-{[(2-chlorophenyl)methyl]amino}-5-[(4-methylpiperazin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]amino}-5-[(4-methylpiperazin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(2-chlorophenyl)methyl]amino}-5-[(4-methylpiperazin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0160 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]amino}-5-[(4-methylpiperazin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 387.87 |
| Molecular Formula: | C18 H22 Cl N7 O |
| Smiles: | CN1CCN(CC1)CC1=CC(n2c(N1)nc(NCc1ccccc1[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3942 |
| logD: | 1.3942 |
| logSw: | -2.542 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.19 |
| InChI Key: | NIELWWDSWGYIAE-UHFFFAOYSA-N |