N-[(4-butoxyphenyl)methyl]-2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[(4-butoxyphenyl)methyl]-2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
N-[(4-butoxyphenyl)methyl]-2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C786-4221 |
| Compound Name: | N-[(4-butoxyphenyl)methyl]-2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C23 H23 F N4 O3 |
| Smiles: | CCCCOc1ccc(CNC(CN2C(c3cc4cc(ccc4n3C=N2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.483 |
| logD: | 3.483 |
| logSw: | -3.5548 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.573 |
| InChI Key: | GBLMRGVFGUUQRB-UHFFFAOYSA-N |