N-(2H-1,3-benzodioxol-5-yl)-2-{1-oxo-4-[4-(propan-2-yl)phenoxy][1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{1-oxo-4-[4-(propan-2-yl)phenoxy][1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{1-oxo-4-[4-(propan-2-yl)phenoxy][1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | F842-0416 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{1-oxo-4-[4-(propan-2-yl)phenoxy][1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide |
| Molecular Weight: | 497.51 |
| Molecular Formula: | C27 H23 N5 O5 |
| Smiles: | CC(C)c1ccc(cc1)OC1C2=NN(CC(Nc3ccc4c(c3)OCO4)=O)C(N2c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8643 |
| logD: | 4.8642 |
| logSw: | -4.5516 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.03 |
| InChI Key: | FCUVKQYHVNODHI-UHFFFAOYSA-N |