2-{[(4-chlorophenyl)methyl]amino}-5-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]amino}-5-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-chlorophenyl)methyl]amino}-5-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0066 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-5-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 417.9 |
| Molecular Formula: | C19 H24 Cl N7 O2 |
| Smiles: | C(c1ccc(cc1)[Cl])Nc1nc2NC(CN3CCN(CC3)CCO)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7487 |
| logD: | 0.7487 |
| logSw: | -2.2727 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.159 |
| InChI Key: | MEBNXHYUZPZWLC-UHFFFAOYSA-N |