2-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
2-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0306 |
| Compound Name: | 2-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 587.68 |
| Molecular Formula: | C36 H33 N3 O5 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.7607 |
| logD: | 5.5692 |
| logSw: | -5.5194 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.337 |
| InChI Key: | WESCMWJTUZGPGG-UHFFFAOYSA-N |