1-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-[(4-chlorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-[(4-chlorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-[(4-chlorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0615 |
| Compound Name: | 1-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-[(4-chlorophenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 540.07 |
| Molecular Formula: | C31 H30 Cl N5 O2 |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(CCc1nnc2N(Cc3ccc(cc3)[Cl])C(c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0578 |
| logD: | 5.0578 |
| logSw: | -5.1764 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.827 |
| InChI Key: | XKQZXCYAYRXFHJ-UHFFFAOYSA-N |