N-[2-(azepan-1-yl)ethyl]-2-[(4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-[(4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[2-(azepan-1-yl)ethyl]-2-[(4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-7156 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-[(4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C25 H29 N3 O3 S |
| Smiles: | COc1ccc(\C=C2/C(Nc3cc(ccc3S2)C(NCCN2CCCCCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2342 |
| logD: | 3.2574 |
| logSw: | -4.0383 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.957 |
| InChI Key: | MNXKPCMBSHLSPT-UHFFFAOYSA-N |