N-(3-chloro-2-methylphenyl)-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
N-(3-chloro-2-methylphenyl)-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F989-0520 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 425.94 |
| Molecular Formula: | C21 H20 Cl N5 O S |
| Smiles: | CC(C)c1nnc2c(nc3ccccc3n12)SCC(Nc1cccc(c1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8286 |
| logD: | 4.8284 |
| logSw: | -4.7511 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.232 |
| InChI Key: | JPUASECLTCCVOZ-UHFFFAOYSA-N |