4-[(4-methylphenyl)methyl]-1,5-dioxo-2-(2-oxo-2-phenylethyl)-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
4-[(4-methylphenyl)methyl]-1,5-dioxo-2-(2-oxo-2-phenylethyl)-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
4-[(4-methylphenyl)methyl]-1,5-dioxo-2-(2-oxo-2-phenylethyl)-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0599 |
| Compound Name: | 4-[(4-methylphenyl)methyl]-1,5-dioxo-2-(2-oxo-2-phenylethyl)-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 509.56 |
| Molecular Formula: | C29 H27 N5 O4 |
| Smiles: | CC(C)NC(c1ccc2C(N(Cc3ccc(C)cc3)C3=NN(CC(c4ccccc4)=O)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5965 |
| logD: | 3.5965 |
| logSw: | -3.8949 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.841 |
| InChI Key: | AARVXQHNUBZSLK-UHFFFAOYSA-N |