N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G731-0113 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C22 H26 N4 O3 S |
| Smiles: | CCOc1ccc(CCNC(CSc2nnc(c3ccccc3)[nH]2)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.22 |
| logD: | 1.0283 |
| logSw: | -2.7324 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.207 |
| InChI Key: | IVRURWPYHYLXPZ-UHFFFAOYSA-N |