N-(4-bromo-2-fluorophenyl)-2-(3-oxo-8-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-phenoxy[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl)acetamide
N-(4-bromo-2-fluorophenyl)-2-(3-oxo-8-phenoxy[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | M446-0086 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-(3-oxo-8-phenoxy[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl)acetamide |
| Molecular Weight: | 458.24 |
| Molecular Formula: | C19 H13 Br F N5 O3 |
| Smiles: | C(C(Nc1ccc(cc1F)[Br])=O)N1C(N2C=CN=C(C2=N1)Oc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8433 |
| logD: | 2.8409 |
| logSw: | -3.3487 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.517 |
| InChI Key: | KKCRXMQTWMOGLK-UHFFFAOYSA-N |