N-(3-chloro-4-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-(3-chloro-4-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-(3-chloro-4-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: | F815-0564 |
| Compound Name: | N-(3-chloro-4-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(c(c5)[Cl])F)=O)C(N4C=Nc3sc2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4448 |
| logD: | 4.4424 |
| logSw: | -4.8657 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.991 |
| InChI Key: | BXQZNLUUOMRIBJ-UHFFFAOYSA-N |