N-(4-butylphenyl)-2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-butylphenyl)-2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
N-(4-butylphenyl)-2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F989-0876 |
| Compound Name: | N-(4-butylphenyl)-2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 481.62 |
| Molecular Formula: | C28 H27 N5 O S |
| Smiles: | CCCCc1ccc(cc1)NC(CSc1c2nnc(c3ccc(C)cc3)n2c2ccccc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2536 |
| logD: | 7.2536 |
| logSw: | -5.7027 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.658 |
| InChI Key: | YFMLPORFFSSAET-UHFFFAOYSA-N |