N-benzyl-2-{4-[(4-methylphenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{4-[(4-methylphenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetamide
N-benzyl-2-{4-[(4-methylphenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | F365-0178 |
| Compound Name: | N-benzyl-2-{4-[(4-methylphenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetamide |
| Molecular Weight: | 453.5 |
| Molecular Formula: | C26 H23 N5 O3 |
| Smiles: | Cc1ccc(CN2C3=NN(CC(NCc4ccccc4)=O)C(N3c3ccccc3C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6088 |
| logD: | 3.6088 |
| logSw: | -3.8129 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.407 |
| InChI Key: | XOHMQKYLPJIXFW-UHFFFAOYSA-N |