4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoic acid
Chemical Structure Depiction of
4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoic acid
4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoic acid
Compound characteristics
Compound ID: | K783-6244 |
Compound Name: | 4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoic acid |
Molecular Weight: | 401.48 |
Molecular Formula: | C24 H19 N O3 S |
Smiles: | Cc1cccc(CN2C(/C(=C/c3ccc(cc3)C(O)=O)Sc3ccccc23)=O)c1 |
Stereo: | ACHIRAL |
logP: | 6.1396 |
logD: | 2.5328 |
logSw: | -5.3612 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.478 |
InChI Key: | QGAGLKJFBMNVSS-UHFFFAOYSA-N |