4-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)benzonitrile
Chemical Structure Depiction of
4-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)benzonitrile
4-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)benzonitrile
Compound characteristics
| Compound ID: | E143-0047 |
| Compound Name: | 4-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)benzonitrile |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C23 H15 N5 O |
| Smiles: | C(c1ccccc1)N1C(c2ccccc2n2c(c3ccc(C#N)cc3)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7852 |
| logD: | 3.7852 |
| logSw: | -4.259 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.786 |
| InChI Key: | QPEALVTYTLMHHM-UHFFFAOYSA-N |