N-(3-cyanophenyl)-2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
N-(3-cyanophenyl)-2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | F843-0584 |
| Compound Name: | N-(3-cyanophenyl)-2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide |
| Molecular Weight: | 482.52 |
| Molecular Formula: | C25 H18 N6 O3 S |
| Smiles: | COc1cccc(c1)SC1C2=NN(CC(Nc3cccc(C#N)c3)=O)C(N2c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9569 |
| logD: | 3.9569 |
| logSw: | -4.19 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.886 |
| InChI Key: | HOIFRXHSVSQRAF-UHFFFAOYSA-N |