4-[(4-methylphenyl)methyl]-1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-[(4-methylphenyl)methyl]-1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-[(4-methylphenyl)methyl]-1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C741-0449 |
| Compound Name: | 4-[(4-methylphenyl)methyl]-1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 507.6 |
| Molecular Formula: | C29 H29 N7 O2 |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c(CCC(N4CCN(CC4)c4ccccn4)=O)nnc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2185 |
| logD: | 3.2097 |
| logSw: | -3.5977 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.87 |
| InChI Key: | VTBCTNCZCGWZSH-UHFFFAOYSA-N |