2-{[4-(azepane-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-{[4-(azepane-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
2-{[4-(azepane-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-3180 |
| Compound Name: | 2-{[4-(azepane-1-carbonyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C22 H22 N2 O2 S |
| Smiles: | C1CCCN(CC1)C(c1ccc(\C=C2/C(Nc3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9557 |
| logD: | 3.9557 |
| logSw: | -4.0593 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.824 |
| InChI Key: | XDTDMUWORIMNDZ-UHFFFAOYSA-N |