2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[4-(4-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)piperazin-1-yl]propyl}acetamide
Compound characteristics
| Compound ID: | K788-5298 |
| Compound Name: | 2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}acetamide |
| Molecular Weight: | 561.08 |
| Molecular Formula: | C31 H33 Cl N4 O4 |
| Smiles: | COc1ccc(cc1)N1CCN(CCCNC(CN2C(/C(=C\c3cccc(c3)[Cl])Oc3ccccc23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.4082 |
| logD: | 3.8221 |
| logSw: | -4.6567 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.132 |
| InChI Key: | RIYPMYLLTAIATR-UHFFFAOYSA-N |