2-[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
2-[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
Compound ID: | E513-1121 |
Compound Name: | 2-[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide |
Molecular Weight: | 450.5 |
Molecular Formula: | C20 H17 F3 N4 O S2 |
Smiles: | CCc1nnc(c2cc3c(cc(C)s3)n12)SCC(Nc1ccccc1C(F)(F)F)=O |
Stereo: | ACHIRAL |
logP: | 4.8467 |
logD: | 4.8441 |
logSw: | -4.5305 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.765 |
InChI Key: | QZWCBDQQAUXFKW-UHFFFAOYSA-N |