2-{2-[(3-chlorophenyl)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-chlorophenyl)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-chlorophenyl)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: | K788-5301 |
| Compound Name: | 2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}acetamide |
| Molecular Weight: | 551.47 |
| Molecular Formula: | C29 H28 Cl2 N4 O3 |
| Smiles: | C(CN1CCN(CC1)c1cccc(c1)[Cl])NC(CN1C(/C(=C\c2cccc(c2)[Cl])Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7647 |
| logD: | 4.6858 |
| logSw: | -4.9871 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.589 |
| InChI Key: | UYOVOKPPWZOLKW-UHFFFAOYSA-N |