2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
Chemical Structure Depiction of
2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
Compound characteristics
| Compound ID: | K783-6546 |
| Compound Name: | 2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C24 H19 N O3 S |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccccc3)Sc3ccc(cc23)C(O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.2164 |
| logD: | 3.5311 |
| logSw: | -5.3603 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.478 |
| InChI Key: | QDAKVADNRJOLCT-UHFFFAOYSA-N |