2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | D243-0080 |
| Compound Name: | 2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 464.51 |
| Molecular Formula: | C22 H23 F3 N4 O2 S |
| Smiles: | CC(C)(C)C1CCc2c3C(N(CC(Nc4cccc(c4)C(F)(F)F)=O)N=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1348 |
| logD: | 6.1346 |
| logSw: | -5.6082 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.905 |
| InChI Key: | FQGVLSRQKLAYBM-GFCCVEGCSA-N |