4-[(2,5-dimethylphenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[(2,5-dimethylphenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
4-[(2,5-dimethylphenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-1390 |
| Compound Name: | 4-[(2,5-dimethylphenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 468.62 |
| Molecular Formula: | C29 H28 N2 O2 S |
| Smiles: | Cc1ccc(C)c(CN2C(/C(=C\c3ccc(cc3)C(N3CCCC3)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.3157 |
| logD: | 6.3157 |
| logSw: | -5.4325 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.084 |
| InChI Key: | GUFBAGZEKQPACM-UHFFFAOYSA-N |