N-(2-bromo-4-methylphenyl)-2-(3-oxo-8-phenoxy[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-2-(3-oxo-8-phenoxy[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl)acetamide
N-(2-bromo-4-methylphenyl)-2-(3-oxo-8-phenoxy[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | M446-0106 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-2-(3-oxo-8-phenoxy[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl)acetamide |
| Molecular Weight: | 454.28 |
| Molecular Formula: | C20 H16 Br N5 O3 |
| Smiles: | Cc1ccc(c(c1)[Br])NC(CN1C(N2C=CN=C(C2=N1)Oc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9442 |
| logD: | 2.9442 |
| logSw: | -3.3027 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.517 |
| InChI Key: | NYTCDGYORSKIIM-UHFFFAOYSA-N |