4-[(4-chlorophenyl)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-chlorophenyl)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-chlorophenyl)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: | C741-0626 |
| Compound Name: | 4-[(4-chlorophenyl)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: | 529 |
| Molecular Formula: | C27 H25 Cl N8 O2 |
| Smiles: | C(Cc1nnc2N(Cc3ccc(cc3)[Cl])C(c3ccccc3n12)=O)C(N1CCN(CC1)c1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8869 |
| logD: | 2.8869 |
| logSw: | -3.7023 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.721 |
| InChI Key: | KIHINEDULIXMIJ-UHFFFAOYSA-N |