2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide
Chemical Structure Depiction of
2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide
2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide
Compound characteristics
| Compound ID: | K788-5297 |
| Compound Name: | 2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide |
| Molecular Weight: | 549.04 |
| Molecular Formula: | C30 H30 Cl F N4 O3 |
| Smiles: | C(CNC(CN1C(/C(=C\c2cccc(c2)[Cl])Oc2ccccc12)=O)=O)CN1CCN(CC1)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.4549 |
| logD: | 3.8688 |
| logSw: | -4.6534 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.589 |
| InChI Key: | KEMQPALGGJCUHQ-UHFFFAOYSA-N |