4-[(2-chlorophenyl)methyl]-1-{3-[4-(diphenylmethyl)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-(diphenylmethyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(2-chlorophenyl)methyl]-1-{3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0755 |
| Compound Name: | 4-[(2-chlorophenyl)methyl]-1-{3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 617.15 |
| Molecular Formula: | C36 H33 Cl N6 O2 |
| Smiles: | C(Cc1nnc2N(Cc3ccccc3[Cl])C(c3ccccc3n12)=O)C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2366 |
| logD: | 5.2331 |
| logSw: | -5.6012 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.66 |
| InChI Key: | MUEVYPOPODKIQG-UHFFFAOYSA-N |