4-benzyl-2-[(2,5-dimethylphenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
4-benzyl-2-[(2,5-dimethylphenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
4-benzyl-2-[(2,5-dimethylphenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0591 |
| Compound Name: | 4-benzyl-2-[(2,5-dimethylphenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 509.61 |
| Molecular Formula: | C30 H31 N5 O3 |
| Smiles: | CC(C)CNC(c1ccc2C(N(Cc3ccccc3)C3=NN(Cc4cc(C)ccc4C)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4059 |
| logD: | 5.4059 |
| logSw: | -5.3252 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.62 |
| InChI Key: | DFBXYMAPQYBNOZ-UHFFFAOYSA-N |