2-benzylidene-4-[(3-methylphenyl)methyl]-6-(pyrrolidine-1-carbonyl)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-benzylidene-4-[(3-methylphenyl)methyl]-6-(pyrrolidine-1-carbonyl)-2H-1,4-benzothiazin-3(4H)-one
2-benzylidene-4-[(3-methylphenyl)methyl]-6-(pyrrolidine-1-carbonyl)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-9739 |
| Compound Name: | 2-benzylidene-4-[(3-methylphenyl)methyl]-6-(pyrrolidine-1-carbonyl)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C28 H26 N2 O2 S |
| Smiles: | Cc1cccc(CN2C(/C(=C/c3ccccc3)Sc3ccc(cc23)C(N2CCCC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.934 |
| logD: | 5.934 |
| logSw: | -5.4502 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.084 |
| InChI Key: | WHUFSBKEKCXDGQ-UHFFFAOYSA-N |