2-{2-[(3-bromophenyl)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-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | K788-0568 |
| Compound Name: | 2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide |
| Molecular Weight: | 470.37 |
| Molecular Formula: | C23 H24 Br N3 O3 |
| Smiles: | C1CCN(C1)CCNC(CN1C(/C(=C\c2cccc(c2)[Br])Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4366 |
| logD: | 1.4978 |
| logSw: | -3.7965 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.694 |
| InChI Key: | QZJNXYWSNSENNF-UHFFFAOYSA-N |