4-[(3-methylphenyl)methyl]-2-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[(3-methylphenyl)methyl]-2-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
4-[(3-methylphenyl)methyl]-2-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0441 |
| Compound Name: | 4-[(3-methylphenyl)methyl]-2-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}phenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 597.64 |
| Molecular Formula: | C35 H30 F3 N3 O3 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(N3CCN(CC3)c3cccc(c3)C(F)(F)F)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.0092 |
| logD: | 7.0092 |
| logSw: | -5.8 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.941 |
| InChI Key: | GRKBVGVMJZGYAT-UHFFFAOYSA-N |