2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | C786-4229 |
| Compound Name: | 2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C20 H17 F N4 O2 S |
| Smiles: | CSc1ccc(CNC(CN2C(c3cc4cc(ccc4n3C=N2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.77 |
| logD: | 2.77 |
| logSw: | -3.3054 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.155 |
| InChI Key: | SEJHHBUAKNFZEV-UHFFFAOYSA-N |