4-[(2-chlorophenyl)methyl]-1-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-[(2-chlorophenyl)methyl]-1-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(2-chlorophenyl)methyl]-1-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0702 |
| Compound Name: | 4-[(2-chlorophenyl)methyl]-1-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}[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(Cc3ccccc3[Cl])C(c3ccccc3n12)=O)C(N1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7621 |
| logD: | 3.7621 |
| logSw: | -4.2314 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.359 |
| InChI Key: | OPEVQLWZDSEOBU-UHFFFAOYSA-N |