1-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-[(4-methylphenyl)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-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0458 |
| Compound Name: | 1-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 519.65 |
| Molecular Formula: | C32 H33 N5 O2 |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c(CCC(N4CCC(CC4)Cc4ccccc4)=O)nnc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8865 |
| logD: | 4.8865 |
| logSw: | -4.7129 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.827 |
| InChI Key: | IWWJKUSQRMJXPQ-UHFFFAOYSA-N |