2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]butanamide
Chemical Structure Depiction of
2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]butanamide
2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]butanamide
Compound characteristics
| Compound ID: | K216-2554 |
| Compound Name: | 2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]butanamide |
| Molecular Weight: | 614.64 |
| Molecular Formula: | C30 H29 F3 N4 O5 S |
| Smiles: | CCC(C(Nc1ccccc1C(F)(F)F)=O)Sc1nc(c2ccc(c(c2)OC)OC)c(c2ccc(c(c2)OC)OC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8178 |
| logD: | 5.8178 |
| logSw: | -5.4696 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.572 |
| InChI Key: | HYGBOXKZTGBYBP-VWLOTQADSA-N |