1-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl}-4-[(2-chlorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl}-4-[(2-chlorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl}-4-[(2-chlorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0728 |
| Compound Name: | 1-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl}-4-[(2-chlorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 569.06 |
| Molecular Formula: | C31 H29 Cl N6 O3 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(CCc1nnc2N(Cc3ccccc3[Cl])C(c3ccccc3n12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2751 |
| logD: | 3.2751 |
| logSw: | -3.8158 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.186 |
| InChI Key: | TYYPEEBKINRNEJ-UHFFFAOYSA-N |