4-[(2-chlorophenyl)methyl]-1-{3-[4-(2,3-dimethylphenyl)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-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(2-chlorophenyl)methyl]-1-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0739 |
| Compound Name: | 4-[(2-chlorophenyl)methyl]-1-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 555.08 |
| Molecular Formula: | C31 H31 Cl N6 O2 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(CCc1nnc2N(Cc3ccccc3[Cl])C(c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.735 |
| logD: | 4.735 |
| logSw: | -4.7936 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.058 |
| InChI Key: | QSVDTQIKBSZYRY-UHFFFAOYSA-N |