N-(2-bromophenyl)-2-[8-(2,3-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(2-bromophenyl)-2-[8-(2,3-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-(2-bromophenyl)-2-[8-(2,3-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M446-1437 |
| Compound Name: | N-(2-bromophenyl)-2-[8-(2,3-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 468.31 |
| Molecular Formula: | C21 H18 Br N5 O3 |
| Smiles: | Cc1cccc(c1C)OC1C2=NN(CC(Nc3ccccc3[Br])=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.245 |
| logD: | 3.245 |
| logSw: | -3.4848 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.603 |
| InChI Key: | UBLVANZYZQYQSC-UHFFFAOYSA-N |