N-[4-chloro-3-(trifluoromethyl)phenyl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | D443-2405 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-1-oxo-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 383.77 |
| Molecular Formula: | C17 H9 Cl F3 N O2 S |
| Smiles: | C1=C(C(Nc2ccc(c(c2)C(F)(F)F)[Cl])=O)SC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2141 |
| logD: | 5.0798 |
| logSw: | -5.7841 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.323 |
| InChI Key: | FGHCCNSMFFMDIU-UHFFFAOYSA-N |