2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | M447-0133 |
| Compound Name: | 2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide |
| Molecular Weight: | 477.47 |
| Molecular Formula: | C20 H18 F3 N7 O2 S |
| Smiles: | C1CCN(C1)c1nc2c(C3=NN(CC(NCc4cccc(c4)C(F)(F)F)=O)C(N3C=N2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.2375 |
| logD: | 3.236 |
| logSw: | -3.4882 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.374 |
| InChI Key: | QQHIXLOHRNYCHR-UHFFFAOYSA-N |