4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoic acid
Chemical Structure Depiction of
4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoic acid
4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoic acid
Compound characteristics
| Compound ID: | K783-6406 |
| Compound Name: | 4-({4-[(3-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoic acid |
| Molecular Weight: | 421.9 |
| Molecular Formula: | C23 H16 Cl N O3 S |
| Smiles: | C(c1cccc(c1)[Cl])N1C(/C(=C/c2ccc(cc2)C(O)=O)Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1485 |
| logD: | 2.5417 |
| logSw: | -5.9339 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.478 |
| InChI Key: | QHTXWTTULBDHPL-UHFFFAOYSA-N |