N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(8-fluoro-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(8-fluoro-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(8-fluoro-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C786-4288 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(8-fluoro-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C23 H23 F N4 O4 |
| Smiles: | CC1=NN(CC(NCCc2ccc(c(c2)OC)OC)=O)C(c2cc3cc(ccc3n12)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9831 |
| logD: | 1.9831 |
| logSw: | -2.8708 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.95 |
| InChI Key: | PXUODUMIBZKWJJ-UHFFFAOYSA-N |