N-(5-chloro-2-methylphenyl)-2-[8-(3,5-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-[8-(3,5-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-(5-chloro-2-methylphenyl)-2-[8-(3,5-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M446-2106 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-[8-(3,5-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 437.88 |
| Molecular Formula: | C22 H20 Cl N5 O3 |
| Smiles: | Cc1cc(C)cc(c1)OC1C2=NN(CC(Nc3cc(ccc3C)[Cl])=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4311 |
| logD: | 3.431 |
| logSw: | -3.883 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.517 |
| InChI Key: | KWMRZGDCZNPMEK-UHFFFAOYSA-N |