N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Chemical Structure Depiction of
N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Compound characteristics
| Compound ID: | C312-1638 |
| Compound Name: | N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide |
| Molecular Weight: | 496.55 |
| Molecular Formula: | C27 H23 F3 N2 O2 S |
| Smiles: | Cc1ccc(CCNC(CN2C(/C(=C\c3ccc(cc3)C(F)(F)F)Sc3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6993 |
| logD: | 5.6993 |
| logSw: | -5.4883 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.382 |
| InChI Key: | QDHJCKZARBWENH-UHFFFAOYSA-N |