N-[(2,3-dimethoxyphenyl)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-[(2,3-dimethoxyphenyl)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-[(2,3-dimethoxyphenyl)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: | F815-0537 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)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: | 467.55 |
| Molecular Formula: | C23 H25 N5 O4 S |
| Smiles: | COc1cccc(CNC(CN2C(N3C=Nc4c(C3=N2)c2CCCCCc2s4)=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4333 |
| logD: | 3.4333 |
| logSw: | -3.8738 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.66 |
| InChI Key: | JDRCNGPWCMCZFP-UHFFFAOYSA-N |