2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(4-methylpiperazin-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-methylpiperazin-1-yl)propyl]acetamide
2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | C311-0231 |
| Compound Name: | 2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide |
| Molecular Weight: | 468.98 |
| Molecular Formula: | C25 H29 Cl N4 O3 |
| Smiles: | CN1CCN(CCCNC(CN2C(/C(=C\c3cccc(c3)[Cl])Oc3ccccc23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.4871 |
| logD: | 1.2825 |
| logSw: | -3.6371 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.805 |
| InChI Key: | LFQDFNNTVLWIJC-UHFFFAOYSA-N |