2-benzylidene-4-[(3-methylphenyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-4-[(3-methylphenyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-4-[(3-methylphenyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-9779 |
| Compound Name: | 2-benzylidene-4-[(3-methylphenyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 550.74 |
| Molecular Formula: | C33 H30 N2 O2 S2 |
| Smiles: | Cc1cccc(CN2C(/C(=C/c3ccccc3)Sc3ccc(cc23)C(NCCc2ccc(cc2)SC)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.5431 |
| logD: | 7.5431 |
| logSw: | -5.5828 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.324 |
| InChI Key: | JVCVESFVZKTPIO-UHFFFAOYSA-N |