N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)propanamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)propanamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)propanamide
Compound characteristics
| Compound ID: | D243-0452 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)propanamide |
| Molecular Weight: | 456.87 |
| Molecular Formula: | C19 H16 Cl F3 N4 O2 S |
| Smiles: | CC(C(Nc1cc(ccc1[Cl])C(F)(F)F)=O)N1C(c2c3CCCCc3sc2N=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4629 |
| logD: | 5.436 |
| logSw: | -6.2837 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.954 |
| InChI Key: | PBYFFXDYXYSZNT-VIFPVBQESA-N |