4-benzyl-2-[(3-methylphenyl)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-[(3-methylphenyl)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-[(3-methylphenyl)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: | F471-0592 |
| Compound Name: | 4-benzyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 495.58 |
| Molecular Formula: | C29 H29 N5 O3 |
| Smiles: | CC(C)CNC(c1ccc2C(N(Cc3ccccc3)C3=NN(Cc4cccc(C)c4)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8778 |
| logD: | 4.8778 |
| logSw: | -4.5215 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.62 |
| InChI Key: | KVDWZJOHMUQSGR-UHFFFAOYSA-N |