4-[(2-methylphenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[(2-methylphenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
4-[(2-methylphenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-9070 |
| Compound Name: | 4-[(2-methylphenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C28 H26 N2 O2 S |
| Smiles: | Cc1ccccc1CN1C(/C(=C\c2ccc(cc2)C(N2CCCC2)=O)Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8883 |
| logD: | 5.8883 |
| logSw: | -5.4635 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.084 |
| InChI Key: | PABKZONYAFRNGG-UHFFFAOYSA-N |