N-(4-chloro-2-fluorophenyl)-2-(3-oxo-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-2-(3-oxo-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-(4-chloro-2-fluorophenyl)-2-(3-oxo-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | F815-0577 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-(3-oxo-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
| Molecular Weight: | 445.9 |
| Molecular Formula: | C20 H17 Cl F N5 O2 S |
| Smiles: | C1CCc2c3C4=NN(CC(Nc5ccc(cc5F)[Cl])=O)C(N4C=Nc3sc2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3365 |
| logD: | 4.334 |
| logSw: | -4.898 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.293 |
| InChI Key: | OCMPLHAMMMOEOT-UHFFFAOYSA-N |