2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
Chemical Structure Depiction of
2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
Compound characteristics
| Compound ID: | C786-4142 |
| Compound Name: | 2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H19 F N4 O2 S |
| Smiles: | CSc1ccc(CCNC(CN2C(c3cc4cc(ccc4n3C=N2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5447 |
| logD: | 2.5447 |
| logSw: | -3.0583 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.997 |
| InChI Key: | VWBIKQJIYSYNET-UHFFFAOYSA-N |