N-(3-cyanophenyl)-2-[1-oxo-4-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-[1-oxo-4-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
N-(3-cyanophenyl)-2-[1-oxo-4-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | F843-0028 |
| Compound Name: | N-(3-cyanophenyl)-2-[1-oxo-4-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C24 H16 N6 O2 S |
| Smiles: | C(C(Nc1cccc(C#N)c1)=O)N1C(N2C(C(=Nc3ccccc23)Sc2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9628 |
| logD: | 3.9628 |
| logSw: | -4.2281 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.342 |
| InChI Key: | CLHHFFYVVCQEHZ-UHFFFAOYSA-N |