2-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0188 |
| Compound Name: | 2-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-1,5-dioxo-N-(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)CN1C2=NN(Cc3ccc(cc3)F)C(N2c2cc(ccc2C1=O)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4683 |
| logD: | 3.4683 |
| logSw: | -3.8238 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.866 |
| InChI Key: | RAKXDGAHLHMGDO-UHFFFAOYSA-N |