2-{[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(2-ethylphenyl)butanamide
Chemical Structure Depiction of
2-{[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(2-ethylphenyl)butanamide
2-{[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(2-ethylphenyl)butanamide
Compound characteristics
| Compound ID: | K216-2961 |
| Compound Name: | 2-{[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(2-ethylphenyl)butanamide |
| Molecular Weight: | 602.75 |
| Molecular Formula: | C33 H38 N4 O5 S |
| Smiles: | CCC(C(Nc1ccccc1CC)=O)Sc1nc(c2ccc(c(c2)OC)OCC)c(c2ccc(c(c2)OC)OCC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.493 |
| logD: | 6.4929 |
| logSw: | -5.6898 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.731 |
| InChI Key: | IGOJZUVTHZNUGV-LJAQVGFWSA-N |