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 |