4-[(4-methylphenyl)methyl]-1-{3-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-[(4-methylphenyl)methyl]-1-{3-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(4-methylphenyl)methyl]-1-{3-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0467 |
| Compound Name: | 4-[(4-methylphenyl)methyl]-1-{3-oxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 508.58 |
| Molecular Formula: | C28 H28 N8 O2 |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c(CCC(N4CCN(CC4)c4ncccn4)=O)nnc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7156 |
| logD: | 2.7156 |
| logSw: | -3.2775 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.721 |
| InChI Key: | RXDFSXRJSYLTMG-UHFFFAOYSA-N |