6-(azepane-1-carbonyl)-2-[(4-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-carbonyl)-2-[(4-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
6-(azepane-1-carbonyl)-2-[(4-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
Compound ID: | C700-0532 |
Compound Name: | 6-(azepane-1-carbonyl)-2-[(4-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one |
Molecular Weight: | 392.52 |
Molecular Formula: | C23 H24 N2 O2 S |
Smiles: | Cc1ccc(\C=C2/C(Nc3cc(ccc3S2)C(N2CCCCCC2)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.827 |
logD: | 4.827 |
logSw: | -4.4779 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.824 |
InChI Key: | CWJBKENILFMXTK-UHFFFAOYSA-N |