5-(propan-2-yl)-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
5-(propan-2-yl)-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
5-(propan-2-yl)-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | 8012-4586 |
| Compound Name: | 5-(propan-2-yl)-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 402.44 |
| Molecular Formula: | C20 H17 F3 N4 S |
| Smiles: | CC(C)n1c2ccccc2c2c1nc(nn2)SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.192 |
| logD: | 5.192 |
| logSw: | -5.4892 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.054 |
| InChI Key: | QHZZTBRWBXRULW-UHFFFAOYSA-N |