4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(2-bromophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(2-bromophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(2-bromophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-6282 |
| Compound Name: | 4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(2-bromophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 532.44 |
| Molecular Formula: | C28 H26 Br N3 O3 |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(CN1C(/C(=C\c2ccccc2[Br])Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2267 |
| logD: | 4.2113 |
| logSw: | -4.4557 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.966 |
| InChI Key: | CPUVXUFJLIYTED-UHFFFAOYSA-N |