N-(4-bromophenyl)-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F989-0480 |
| Compound Name: | N-(4-bromophenyl)-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 456.36 |
| Molecular Formula: | C20 H18 Br N5 O S |
| Smiles: | CC(C)c1nnc2c(nc3ccccc3n12)SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8552 |
| logD: | 4.8551 |
| logSw: | -4.5168 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.93 |
| InChI Key: | NUGCXYWJOCEUQL-UHFFFAOYSA-N |