N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8017-7420 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C22 H27 N5 O3 S |
| Smiles: | CCOc1ccc(CCNC(CSc2nnc(c3cccnc3)n2C)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 1.1986 |
| logD: | 1.1646 |
| logSw: | -1.8477 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.302 |
| InChI Key: | GBCKBKFETPHENT-UHFFFAOYSA-N |