4-[(4-chlorophenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[(4-chlorophenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one
4-[(4-chlorophenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-7125 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-2-{[4-(pyrrolidine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 458.94 |
| Molecular Formula: | C27 H23 Cl N2 O3 |
| Smiles: | C1CCN(C1)C(c1ccc(\C=C2/C(N(Cc3ccc(cc3)[Cl])c3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2341 |
| logD: | 5.2341 |
| logSw: | -6.0055 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.047 |
| InChI Key: | ZMNRRUOPGJUEMO-KOEQRZSOSA-N |