2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]butanamide
Chemical Structure Depiction of
2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]butanamide
2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]butanamide
Compound characteristics
| Compound ID: | E513-0920 |
| Compound Name: | 2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]butanamide |
| Molecular Weight: | 450.5 |
| Molecular Formula: | C20 H17 F3 N4 O S2 |
| Smiles: | CCC(C(Nc1cccc(c1)C(F)(F)F)=O)Sc1c2cc3c(ccs3)n2c(C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1317 |
| logD: | 5.1249 |
| logSw: | -5.0965 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.477 |
| InChI Key: | DFLYKLDGNYLRSX-INIZCTEOSA-N |