4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoic acid
Chemical Structure Depiction of
4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoic acid
4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoic acid
Compound characteristics
| Compound ID: | K783-5578 |
| Compound Name: | 4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoic acid |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C23 H16 F N O3 S |
| Smiles: | C(c1ccccc1F)N1C(/C(=C\c2ccc(cc2)C(O)=O)Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6334 |
| logD: | 2.0266 |
| logSw: | -5.7366 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.478 |
| InChI Key: | HCRFFKZXQJDVCU-UHFFFAOYSA-N |