4-benzyl-N-(2-methylpropyl)-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
4-benzyl-N-(2-methylpropyl)-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
4-benzyl-N-(2-methylpropyl)-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-0620 |
| Compound Name: | 4-benzyl-N-(2-methylpropyl)-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 490.56 |
| Molecular Formula: | C26 H30 N6 O4 |
| Smiles: | CC(C)CNC(c1ccc2C(N(Cc3ccccc3)C3=NN(CC(NC(C)C)=O)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4721 |
| logD: | 2.472 |
| logSw: | -3.2389 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.337 |
| InChI Key: | BJSJCKKTCUCGSK-UHFFFAOYSA-N |