4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(4-methoxyphenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(4-methoxyphenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(4-methoxyphenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8657 |
| Compound Name: | 4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(4-methoxyphenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 483.57 |
| Molecular Formula: | C29 H29 N3 O4 |
| Smiles: | COc1ccc(/C=C2/C(N(CC(N3CCN(CC3)Cc3ccccc3)=O)c3ccccc3O2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6475 |
| logD: | 3.6321 |
| logSw: | -4.0474 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.509 |
| InChI Key: | UELJKDREXHGFLB-UHFFFAOYSA-N |