2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
Chemical Structure Depiction of
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
Compound characteristics
Compound ID: | K788-5960 |
Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide |
Molecular Weight: | 544.47 |
Molecular Formula: | C25 H26 Br N3 O4 S |
Smiles: | COc1ccc(/C=C2/C(N(CC(NCCCN3CCCC3=O)=O)c3ccccc3S2)=O)cc1[Br] |
Stereo: | ACHIRAL |
logP: | 2.6484 |
logD: | 2.6484 |
logSw: | -3.232 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.525 |
InChI Key: | NKSBJGDUHLEXBL-UHFFFAOYSA-N |