6-(azepane-1-carbonyl)-2-benzylidene-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-carbonyl)-2-benzylidene-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
6-(azepane-1-carbonyl)-2-benzylidene-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0830 |
| Compound Name: | 6-(azepane-1-carbonyl)-2-benzylidene-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 482.64 |
| Molecular Formula: | C30 H30 N2 O2 S |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccccc3)Sc3ccc(cc23)C(N2CCCCCC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.7172 |
| logD: | 6.7172 |
| logSw: | -5.4746 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.049 |
| InChI Key: | WZYLVTMHTPYZCV-UHFFFAOYSA-N |