4-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline
Chemical Structure Depiction of
4-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline
4-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline
Compound characteristics
| Compound ID: | C200-9078 |
| Compound Name: | 4-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline |
| Molecular Weight: | 350.4 |
| Molecular Formula: | C18 H14 N4 O2 S |
| Smiles: | Cc1nnc2c(nc3ccccc3n12)SCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.2979 |
| logD: | 3.2978 |
| logSw: | -3.3836 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.673 |
| InChI Key: | KPMBLXWGLJMCHV-UHFFFAOYSA-N |