N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | F815-0391 |
| Compound Name: | N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
| Molecular Weight: | 481.88 |
| Molecular Formula: | C20 H15 Cl F3 N5 O2 S |
| Smiles: | C1CCc2c(C1)c1C3=NN(CC(Nc4ccc(cc4C(F)(F)F)[Cl])=O)C(N3C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5234 |
| logD: | 4.5234 |
| logSw: | -4.9615 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.962 |
| InChI Key: | BOJROHKMSOMUQZ-UHFFFAOYSA-N |