2-{[4-(azepane-1-carbonyl)phenyl]methylidene}-4-[(2,5-dimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-{[4-(azepane-1-carbonyl)phenyl]methylidene}-4-[(2,5-dimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
2-{[4-(azepane-1-carbonyl)phenyl]methylidene}-4-[(2,5-dimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0078 |
| Compound Name: | 2-{[4-(azepane-1-carbonyl)phenyl]methylidene}-4-[(2,5-dimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 496.67 |
| Molecular Formula: | C31 H32 N2 O2 S |
| Smiles: | Cc1ccc(C)c(CN2C(/C(=C/c3ccc(cc3)C(N3CCCCCC3)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.0989 |
| logD: | 7.0989 |
| logSw: | -5.456 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.049 |
| InChI Key: | FVCYYCVDCKRNIV-UHFFFAOYSA-N |