4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(4-methoxyphenyl)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-[(4-methoxyphenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(4-methoxyphenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8756 |
| Compound Name: | 4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(4-methoxyphenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 518.01 |
| Molecular Formula: | C29 H28 Cl N3 O4 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(CN1C(/C(=C\c2ccc(cc2)OC)Oc2ccccc12)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2491 |
| logD: | 5.2491 |
| logSw: | -5.8938 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.928 |
| InChI Key: | CHBUUEHMTUTMLE-UHFFFAOYSA-N |