2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide
Chemical Structure Depiction of
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide
Compound characteristics
| Compound ID: | K788-0561 |
| Compound Name: | 2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide |
| Molecular Weight: | 548.48 |
| Molecular Formula: | C29 H30 Br N3 O3 |
| Smiles: | CCN(CCCNC(CN1C(/C(=C\c2cccc(c2)[Br])Oc2ccccc12)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.7704 |
| logD: | 5.7381 |
| logSw: | -5.4385 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.336 |
| InChI Key: | LZRDAPIIXLCPRT-UHFFFAOYSA-N |