N-[2-(azepan-1-yl)ethyl]-2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
N-[2-(azepan-1-yl)ethyl]-2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
Compound characteristics
Compound ID: | K788-5841 |
Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide |
Molecular Weight: | 544.51 |
Molecular Formula: | C26 H30 Br N3 O3 S |
Smiles: | COc1ccc(\C=C2/C(N(CC(NCCN3CCCCCC3)=O)c3ccccc3S2)=O)cc1[Br] |
Stereo: | ACHIRAL |
logP: | 4.4998 |
logD: | 3.0142 |
logSw: | -4.0885 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.326 |
InChI Key: | SVILQSYFHYTYHM-UHFFFAOYSA-N |