2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
Chemical Structure Depiction of
2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
Compound characteristics
Compound ID: | D243-0457 |
Compound Name: | 2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)-N-[2-(trifluoromethyl)phenyl]propanamide |
Molecular Weight: | 422.43 |
Molecular Formula: | C19 H17 F3 N4 O2 S |
Smiles: | CC(C(Nc1ccccc1C(F)(F)F)=O)N1C(c2c3CCCCc3sc2N=N1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.7536 |
logD: | 4.7536 |
logSw: | -4.6057 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.954 |
InChI Key: | ZQMOQFXCPWUIOG-JTQLQIEISA-N |