N-[3-(azepan-1-yl)propyl]-2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[3-(azepan-1-yl)propyl]-2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | C700-0852 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-[(4-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 449.61 |
| Molecular Formula: | C26 H31 N3 O2 S |
| Smiles: | Cc1ccc(\C=C2/C(Nc3cc(ccc3S2)C(NCCCN2CCCCCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7984 |
| logD: | 2.2277 |
| logSw: | -4.3111 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.413 |
| InChI Key: | VUGPTGCKDQXWPG-UHFFFAOYSA-N |