N-(4-butylphenyl)-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-butylphenyl)-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
N-(4-butylphenyl)-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F989-0541 |
| Compound Name: | N-(4-butylphenyl)-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C24 H27 N5 O S |
| Smiles: | CCCCc1ccc(cc1)NC(CSc1c2nnc(C(C)C)n2c2ccccc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9905 |
| logD: | 5.9905 |
| logSw: | -5.4162 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.93 |
| InChI Key: | KTFCSELDFDDNMO-UHFFFAOYSA-N |