methyl 2-{2-[4-(3,5-dimethylphenoxy)-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[4-(3,5-dimethylphenoxy)-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamido}benzoate
methyl 2-{2-[4-(3,5-dimethylphenoxy)-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F842-0916 |
| Compound Name: | methyl 2-{2-[4-(3,5-dimethylphenoxy)-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamido}benzoate |
| Molecular Weight: | 497.51 |
| Molecular Formula: | C27 H23 N5 O5 |
| Smiles: | Cc1cc(C)cc(c1)OC1C2=NN(CC(Nc3ccccc3C(=O)OC)=O)C(N2c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2002 |
| logD: | 4.1961 |
| logSw: | -4.4216 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.39 |
| InChI Key: | NKTPGFSTUCSDBR-UHFFFAOYSA-N |