N-(2-chloro-4-methylphenyl)-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-(2-chloro-4-methylphenyl)-2-{4-[(4-methylphenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetamide
N-(2-chloro-4-methylphenyl)-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: | F365-0191 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-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: | 487.94 |
| Molecular Formula: | C26 H22 Cl N5 O3 |
| Smiles: | Cc1ccc(CN2C3=NN(CC(Nc4ccc(C)cc4[Cl])=O)C(N3c3ccccc3C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7549 |
| logD: | 4.7548 |
| logSw: | -4.8129 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.387 |
| InChI Key: | PNNVZYITFFOBOF-UHFFFAOYSA-N |