N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-phenyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-phenyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-phenyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F989-0780 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-phenyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C27 H25 N5 O3 S |
| Smiles: | COc1ccc(CCNC(CSc2c3nnc(c4ccccc4)n3c3ccccc3n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.729 |
| logD: | 3.729 |
| logSw: | -3.9812 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.082 |
| InChI Key: | FAEWLWUSGQJSIL-UHFFFAOYSA-N |