ethyl 4-({2-[(2-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({2-[(2-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetyl)piperazine-1-carboxylate
ethyl 4-({2-[(2-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K788-6290 |
| Compound Name: | ethyl 4-({2-[(2-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetyl)piperazine-1-carboxylate |
| Molecular Weight: | 514.37 |
| Molecular Formula: | C24 H24 Br N3 O5 |
| Smiles: | CCOC(N1CCN(CC1)C(CN1C(/C(=C\c2ccccc2[Br])Oc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4481 |
| logD: | 3.4481 |
| logSw: | -3.7746 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.205 |
| InChI Key: | LIAQOLCVAULQAK-UHFFFAOYSA-N |