N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[(3-methylphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[(3-methylphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[(3-methylphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | F843-0713 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[(3-methylphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide |
| Molecular Weight: | 499.55 |
| Molecular Formula: | C26 H21 N5 O4 S |
| Smiles: | Cc1cccc(c1)SC1C2=NN(CC(Nc3ccc4c(c3)OCCO4)=O)C(N2c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5137 |
| logD: | 3.5137 |
| logSw: | -3.8178 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.109 |
| InChI Key: | DMLCFZTWOPFKDO-UHFFFAOYSA-N |