2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}acetamide
Chemical Structure Depiction of
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}acetamide
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}acetamide
Compound characteristics
| Compound ID: | K788-0549 |
| Compound Name: | 2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}acetamide |
| Molecular Weight: | 609.95 |
| Molecular Formula: | C30 H30 Br Cl N4 O3 |
| Smiles: | C(CNC(CN1C(/C(=C\c2cccc(c2)[Br])Oc2ccccc12)=O)=O)CN1CCN(CC1)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1313 |
| logD: | 4.5451 |
| logSw: | -5.5752 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.589 |
| InChI Key: | ZPOXFQYXYYPDAE-UHFFFAOYSA-N |