2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(4-ethylphenyl)butanamide
Chemical Structure Depiction of
2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(4-ethylphenyl)butanamide
2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(4-ethylphenyl)butanamide
Compound characteristics
| Compound ID: | K216-2582 |
| Compound Name: | 2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(4-ethylphenyl)butanamide |
| Molecular Weight: | 574.7 |
| Molecular Formula: | C31 H34 N4 O5 S |
| Smiles: | CCC(C(Nc1ccc(CC)cc1)=O)Sc1nc(c2ccc(c(c2)OC)OC)c(c2ccc(c(c2)OC)OC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9343 |
| logD: | 5.9343 |
| logSw: | -5.5183 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.27 |
| InChI Key: | AQZLVMVDJXLMAU-MHZLTWQESA-N |