N-[(4-chlorophenyl)methyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[(4-chlorophenyl)methyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | C310-3045 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 502.94 |
| Molecular Formula: | C25 H18 Cl F3 N2 O2 S |
| Smiles: | CN1C(/C(=C/c2ccc(cc2)C(F)(F)F)Sc2ccc(cc12)C(NCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.827 |
| logD: | 5.827 |
| logSw: | -6.2074 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.52 |
| InChI Key: | VQMINNVHUVLEOA-UHFFFAOYSA-N |