2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | K788-5921 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide |
| Molecular Weight: | 500.39 |
| Molecular Formula: | C24 H26 Br N3 O4 |
| Smiles: | COc1ccc(/C=C2/C(N(CC(NCCN3CCCC3)=O)c3ccccc3O2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.0093 |
| logD: | 1.0705 |
| logSw: | -3.4695 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.325 |
| InChI Key: | YUPVSNSVGJMYKX-UHFFFAOYSA-N |