4-[(4-fluorophenyl)methyl]-1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-[(4-fluorophenyl)methyl]-1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(4-fluorophenyl)methyl]-1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0517 |
| Compound Name: | 4-[(4-fluorophenyl)methyl]-1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 511.56 |
| Molecular Formula: | C28 H26 F N7 O2 |
| Smiles: | C(Cc1nnc2N(Cc3ccc(cc3)F)C(c3ccccc3n12)=O)C(N1CCN(CC1)c1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8242 |
| logD: | 2.8154 |
| logSw: | -3.5305 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.87 |
| InChI Key: | ODJUSGJPWMBSDS-UHFFFAOYSA-N |