2-{[4-([1,4'-bipiperidine]-1'-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-{[4-([1,4'-bipiperidine]-1'-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
2-{[4-([1,4'-bipiperidine]-1'-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0448 |
| Compound Name: | 2-{[4-([1,4'-bipiperidine]-1'-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 535.69 |
| Molecular Formula: | C34 H37 N3 O3 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(N3CCC(CC3)N3CCCCC3)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.9217 |
| logD: | 2.4823 |
| logSw: | -5.4504 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.775 |
| InChI Key: | LUHITRLZEVBNGB-UHFFFAOYSA-N |