2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{2-[4-(3-chlorophenyl)piperazin-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-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}acetamide
Compound characteristics
| Compound ID: | K788-5922 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}acetamide |
| Molecular Weight: | 625.95 |
| Molecular Formula: | C30 H30 Br Cl N4 O4 |
| Smiles: | COc1ccc(/C=C2/C(N(CC(NCCN3CCN(CC3)c3cccc(c3)[Cl])=O)c3ccccc3O2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.5808 |
| logD: | 4.5019 |
| logSw: | -4.9173 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.219 |
| InChI Key: | XESRBDQFGKGDMM-UHFFFAOYSA-N |