5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0117 |
| Compound Name: | 5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 459.55 |
| Molecular Formula: | C25 H29 N7 O2 |
| Smiles: | Cc1ccc(CNc2nc3NC(CN4CCN(CC4)c4ccccc4OC)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8536 |
| logD: | 2.4878 |
| logSw: | -3.3466 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.303 |
| InChI Key: | VVESTASQCOESPG-UHFFFAOYSA-N |