2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | 8009-8378 |
| Compound Name: | 2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 461.46 |
| Molecular Formula: | C21 H18 F3 N5 O2 S |
| Smiles: | CC(C)n1c2ccccc2c2c1nc(nn2)SCC(Nc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0244 |
| logD: | 5.0244 |
| logSw: | -4.7773 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.14 |
| InChI Key: | LNJSDXHOMMETGG-UHFFFAOYSA-N |