N-[(4-methoxyphenyl)methyl]-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
N-[(4-methoxyphenyl)methyl]-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F989-0547 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | CC(C)c1nnc2c(nc3ccccc3n12)SCC(NCc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.685 |
| logD: | 3.685 |
| logSw: | -3.943 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.796 |
| InChI Key: | LKBOZEJUHCYVRK-UHFFFAOYSA-N |