N-(4-bromo-2-fluorophenyl)-2-{3-oxo-8-[4-(propan-2-yl)phenoxy][1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-{3-oxo-8-[4-(propan-2-yl)phenoxy][1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-(4-bromo-2-fluorophenyl)-2-{3-oxo-8-[4-(propan-2-yl)phenoxy][1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M446-0534 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-{3-oxo-8-[4-(propan-2-yl)phenoxy][1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 500.33 |
| Molecular Formula: | C22 H19 Br F N5 O3 |
| Smiles: | CC(C)c1ccc(cc1)OC1C2=NN(CC(Nc3ccc(cc3F)[Br])=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.21 |
| logD: | 4.2076 |
| logSw: | -4.2757 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.517 |
| InChI Key: | XHSUMIFQDQYVDN-UHFFFAOYSA-N |