4-[(4-chlorophenyl)methyl]-1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-[(4-chlorophenyl)methyl]-1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(4-chlorophenyl)methyl]-1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0582 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 527.03 |
| Molecular Formula: | C29 H27 Cl N6 O2 |
| Smiles: | C(Cc1nnc2N(Cc3ccc(cc3)[Cl])C(c3ccccc3n12)=O)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7223 |
| logD: | 3.7222 |
| logSw: | -4.4386 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.359 |
| InChI Key: | NPEHILRWTDNOEV-UHFFFAOYSA-N |