2-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
2-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0335 |
| Compound Name: | 2-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 543.67 |
| Molecular Formula: | C35 H33 N3 O3 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(N3CCN(CC3)Cc3ccccc3)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.8896 |
| logD: | 5.8741 |
| logSw: | -5.538 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.222 |
| InChI Key: | PJCUPPDURUCSSJ-UHFFFAOYSA-N |