6-(azepane-1-carbonyl)-2-benzylidene-4-[(4-fluorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-carbonyl)-2-benzylidene-4-[(4-fluorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
6-(azepane-1-carbonyl)-2-benzylidene-4-[(4-fluorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8666 |
| Compound Name: | 6-(azepane-1-carbonyl)-2-benzylidene-4-[(4-fluorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 486.61 |
| Molecular Formula: | C29 H27 F N2 O2 S |
| Smiles: | C1CCCN(CC1)C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(/C(=C/c1ccccc1)S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0997 |
| logD: | 6.0997 |
| logSw: | -5.9573 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.049 |
| InChI Key: | CQIXUKAXZBNIAT-UHFFFAOYSA-N |