N-[(3,4-dimethoxyphenyl)methyl]-2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
N-[(3,4-dimethoxyphenyl)methyl]-2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C786-4123 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide |
| Molecular Weight: | 410.4 |
| Molecular Formula: | C21 H19 F N4 O4 |
| Smiles: | COc1ccc(CNC(CN2C(c3cc4cc(ccc4n3C=N2)F)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.6656 |
| logD: | 1.6656 |
| logSw: | -2.5813 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.416 |
| InChI Key: | YYUVQLCLWWSAEH-UHFFFAOYSA-N |