N-[3-(azepan-1-yl)propyl]-2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[3-(azepan-1-yl)propyl]-2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | C700-0288 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 539.74 |
| Molecular Formula: | C33 H37 N3 O2 S |
| Smiles: | Cc1cccc(CN2C(/C(=C/c3ccccc3)Sc3ccc(cc23)C(NCCCN2CCCCCC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.6886 |
| logD: | 4.1179 |
| logSw: | -5.3456 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.638 |
| InChI Key: | PRHVFPJWIANYKA-UHFFFAOYSA-N |