2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0981 |
| Compound Name: | 2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C24 H26 F N5 O3 |
| Smiles: | CC(C)CNC(c1ccc2C(N(C(C)C)C3=NN(Cc4cccc(c4)F)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4517 |
| logD: | 3.4517 |
| logSw: | -3.8188 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.612 |
| InChI Key: | IMGPZLGKEKNMPS-UHFFFAOYSA-N |