2-[(2-fluorophenyl)methylidene]-4-{2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(2-fluorophenyl)methylidene]-4-{2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
2-[(2-fluorophenyl)methylidene]-4-{2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-6605 |
| Compound Name: | 2-[(2-fluorophenyl)methylidene]-4-{2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C29 H28 F N3 O3 |
| Smiles: | CC1CN(CCN1c1ccc(C)cc1)C(CN1C(/C(=C\c2ccccc2F)Oc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8601 |
| logD: | 4.8587 |
| logSw: | -4.6524 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.904 |
| InChI Key: | LWVOVQXRXZCKLM-NRFANRHFSA-N |