2-[(2-chloro-4-fluorophenyl)methyl]-N-cyclohexyl-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-[(2-chloro-4-fluorophenyl)methyl]-N-cyclohexyl-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[(2-chloro-4-fluorophenyl)methyl]-N-cyclohexyl-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: | F471-0956 |
| Compound Name: | 2-[(2-chloro-4-fluorophenyl)methyl]-N-cyclohexyl-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 511.98 |
| Molecular Formula: | C26 H27 Cl F N5 O3 |
| Smiles: | CC(C)N1C2=NN(Cc3ccc(cc3[Cl])F)C(N2c2cc(ccc2C1=O)C(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9304 |
| logD: | 4.9304 |
| logSw: | -4.9717 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.066 |
| InChI Key: | WYQDCSAPYQDHBK-UHFFFAOYSA-N |