2-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(4-chlorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(4-chlorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
2-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(4-chlorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-6833 |
| Compound Name: | 2-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(4-chlorophenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 564.08 |
| Molecular Formula: | C34 H30 Cl N3 O3 |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(c1ccc(/C=C2/C(N(Cc3ccc(cc3)[Cl])c3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8377 |
| logD: | 5.8223 |
| logSw: | -6.2388 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.222 |
| InChI Key: | LBJHQDQVNBMOMK-UHFFFAOYSA-N |