N-(3,4-dimethylphenyl)-2-[1-oxo-4-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-[1-oxo-4-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
N-(3,4-dimethylphenyl)-2-[1-oxo-4-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | F843-0045 |
| Compound Name: | N-(3,4-dimethylphenyl)-2-[1-oxo-4-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide |
| Molecular Weight: | 455.54 |
| Molecular Formula: | C25 H21 N5 O2 S |
| Smiles: | Cc1ccc(cc1C)NC(CN1C(N2C(C(=Nc3ccccc23)Sc2ccccc2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0893 |
| logD: | 5.0893 |
| logSw: | -4.8564 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.286 |
| InChI Key: | JRDLTGMBVLJQMF-UHFFFAOYSA-N |