4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-6612 |
| Compound Name: | 4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 505.98 |
| Molecular Formula: | C28 H25 Cl F N3 O3 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(CN1C(/C(=C\c2ccccc2F)Oc2ccccc12)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3734 |
| logD: | 5.3733 |
| logSw: | -5.7768 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.385 |
| InChI Key: | RITFVEZUYNRNAQ-UHFFFAOYSA-N |