N-(5-chloro-2-methylphenyl)-2-{4-[(4-fluorophenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-{4-[(4-fluorophenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetamide
N-(5-chloro-2-methylphenyl)-2-{4-[(4-fluorophenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | F365-0163 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-{4-[(4-fluorophenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetamide |
| Molecular Weight: | 491.91 |
| Molecular Formula: | C25 H19 Cl F N5 O3 |
| Smiles: | Cc1ccc(cc1NC(CN1C(N2C(=N1)N(Cc1ccc(cc1)F)C(c1ccccc12)=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0939 |
| logD: | 4.0938 |
| logSw: | -4.4576 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.387 |
| InChI Key: | WUUBNERURLNAQW-UHFFFAOYSA-N |