2-{[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-{[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
2-{[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | K216-2936 |
| Compound Name: | 2-{[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide |
| Molecular Weight: | 578.73 |
| Molecular Formula: | C31 H38 N4 O5 S |
| Smiles: | CCOc1ccc(cc1OC)c1c(c2ccc(c(c2)OC)OCC)nnc(n1)SCC(NCCC1CCCCC=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5722 |
| logD: | 4.5722 |
| logSw: | -4.3963 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.572 |
| InChI Key: | PXXXPFJQUFZNPT-UHFFFAOYSA-N |