4-benzyl-1-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-oxopropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-benzyl-1-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-oxopropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-benzyl-1-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-oxopropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0412 |
| Compound Name: | 4-benzyl-1-(3-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-oxopropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 571.08 |
| Molecular Formula: | C31 H31 Cl N6 O3 |
| Smiles: | C(Cc1nnc2N(Cc3ccccc3)C(c3ccccc3n12)=O)C(N1CCN(CC1)CCOc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6839 |
| logD: | 3.669 |
| logSw: | -4.3122 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.035 |
| InChI Key: | XIFHMILILHFJOL-UHFFFAOYSA-N |