N-(2H-1,3-benzodioxol-5-yl)-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F989-0532 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 421.48 |
| Molecular Formula: | C21 H19 N5 O3 S |
| Smiles: | CC(C)c1nnc2c(nc3ccccc3n12)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8544 |
| logD: | 3.8544 |
| logSw: | -3.8679 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.045 |
| InChI Key: | VEDGVBPOVFEVKX-UHFFFAOYSA-N |