1-{3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0539 |
| Compound Name: | 1-{3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-4-[(4-fluorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 545.02 |
| Molecular Formula: | C29 H26 Cl F N6 O2 |
| Smiles: | C(Cc1nnc2N(Cc3ccc(cc3)F)C(c3ccccc3n12)=O)C(N1CCN(CC1)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8729 |
| logD: | 3.8729 |
| logSw: | -4.5074 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.359 |
| InChI Key: | INOBQOSISVZSDL-UHFFFAOYSA-N |