N-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | D443-2404 |
| Compound Name: | N-[2-chloro-5-(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(Nc2cc(ccc2[Cl])C(F)(F)F)=O)SC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0301 |
| logD: | 4.8705 |
| logSw: | -5.3284 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.625 |
| InChI Key: | MTIXGKMRMGDBAL-UHFFFAOYSA-N |