4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C311-0492 |
| Compound Name: | 4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C28 H26 F N3 O3 |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(CN1C(/C(=C/c2ccccc2F)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7718 |
| logD: | 3.7564 |
| logSw: | -4.2112 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.966 |
| InChI Key: | IURQEVZSGZEKJP-UHFFFAOYSA-N |