N-[2-(azepan-1-yl)ethyl]-2-[(4-methoxyphenyl)methylidene]-4-methyl-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]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[2-(azepan-1-yl)ethyl]-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | C310-1120 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | CN1C(/C(=C/c2ccc(cc2)OC)Sc2ccc(cc12)C(NCCN1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0171 |
| logD: | 3.0404 |
| logSw: | -4.0596 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.219 |
| InChI Key: | KMLDGVTYNJSARG-UHFFFAOYSA-N |