6-(azepane-1-carbonyl)-2-benzylidene-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-carbonyl)-2-benzylidene-2H-1,4-benzothiazin-3(4H)-one
6-(azepane-1-carbonyl)-2-benzylidene-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-9476 |
| Compound Name: | 6-(azepane-1-carbonyl)-2-benzylidene-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C22 H22 N2 O2 S |
| Smiles: | C1CCCN(CC1)C(c1ccc2c(c1)NC(/C(=C/c1ccccc1)S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4079 |
| logD: | 4.4079 |
| logSw: | -4.2452 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.824 |
| InChI Key: | RYOQSUAYJWXJGL-UHFFFAOYSA-N |