5-methyl-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
5-methyl-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
5-methyl-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
Compound ID: | 8012-4591 |
Compound Name: | 5-methyl-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5H-[1,2,4]triazino[5,6-b]indole |
Molecular Weight: | 374.39 |
Molecular Formula: | C18 H13 F3 N4 S |
Smiles: | Cn1c2ccccc2c2c1nc(nn2)SCc1cccc(c1)C(F)(F)F |
Stereo: | ACHIRAL |
logP: | 4.3603 |
logD: | 4.3603 |
logSw: | -4.5265 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 33.788 |
InChI Key: | BFLIYQNEFPITSB-UHFFFAOYSA-N |