2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-[(3,4,5-triethoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-[(3,4,5-triethoxyphenyl)methyl]acetamide
2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-[(3,4,5-triethoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C786-4223 |
| Compound Name: | 2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-[(3,4,5-triethoxyphenyl)methyl]acetamide |
| Molecular Weight: | 482.51 |
| Molecular Formula: | C25 H27 F N4 O5 |
| Smiles: | CCOc1cc(CNC(CN2C(c3cc4cc(ccc4n3C=N2)F)=O)=O)cc(c1OCC)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.7911 |
| logD: | 2.7911 |
| logSw: | -3.2533 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.872 |
| InChI Key: | NGQCNUSWIXJNBF-UHFFFAOYSA-N |