N-(3,4-difluorophenyl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-difluorophenyl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-(3,4-difluorophenyl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8011-6626 |
| Compound Name: | N-(3,4-difluorophenyl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C20 H17 F2 N5 O S |
| Smiles: | CC(C)n1c2ccccc2c2c1nc(nn2)SCC(Nc1ccc(c(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1898 |
| logD: | 4.1816 |
| logSw: | -4.272 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.203 |
| InChI Key: | OGLGZWGTHKPEEB-UHFFFAOYSA-N |