N-[(5-bromo-2-methoxyphenyl)methyl]-2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C786-4127 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide |
| Molecular Weight: | 459.27 |
| Molecular Formula: | C20 H16 Br F N4 O3 |
| Smiles: | COc1ccc(cc1CNC(CN1C(c2cc3cc(ccc3n2C=N1)F)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.944 |
| logD: | 2.944 |
| logSw: | -3.3918 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.785 |
| InChI Key: | LYYCNJPQXLDMTE-UHFFFAOYSA-N |