2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C311-1596 |
| Compound Name: | 2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 457.32 |
| Molecular Formula: | C22 H21 Br N2 O4 |
| Smiles: | COc1ccc(\C=C2/C(N(CC(N3CCCC3)=O)c3ccccc3O2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.4848 |
| logD: | 3.4848 |
| logSw: | -3.8531 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.422 |
| InChI Key: | NPBZSAPUWQACRH-UHFFFAOYSA-N |