2-[(2-bromophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(2-bromophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
2-[(2-bromophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-6281 |
| Compound Name: | 2-[(2-bromophenyl)methylidene]-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 427.3 |
| Molecular Formula: | C21 H19 Br N2 O3 |
| Smiles: | C1CCN(C1)C(CN1C(/C(=C\c2ccccc2[Br])Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6914 |
| logD: | 3.6914 |
| logSw: | -4.1334 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.791 |
| InChI Key: | SAIUDDSYQYVBQK-UHFFFAOYSA-N |