N-[(4-chlorophenyl)methyl]-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-chlorophenyl)methyl]-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-chlorophenyl)methyl]-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: | F815-0536 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-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: | 441.94 |
| Molecular Formula: | C21 H20 Cl N5 O2 S |
| Smiles: | C1CCc2c3C4=NN(CC(NCc5ccc(cc5)[Cl])=O)C(N4C=Nc3sc2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8871 |
| logD: | 3.8871 |
| logSw: | -4.9246 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.313 |
| InChI Key: | DHISXWPDLIRTFB-UHFFFAOYSA-N |