1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0788 |
| Compound Name: | 1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-4-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 507.6 |
| Molecular Formula: | C29 H29 N7 O2 |
| Smiles: | C(Cc1nnc2N(CCc3ccccc3)C(c3ccccc3n12)=O)C(N1CCN(CC1)c1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8943 |
| logD: | 2.8854 |
| logSw: | -3.5932 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.849 |
| InChI Key: | PQJRIHYQUMTLBS-UHFFFAOYSA-N |