4-[(4-chlorophenyl)methyl]-2-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[(4-chlorophenyl)methyl]-2-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one
4-[(4-chlorophenyl)methyl]-2-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-6757 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-2-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methylidene}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 502.01 |
| Molecular Formula: | C29 H28 Cl N3 O3 |
| Smiles: | CCN1CCN(CC1)C(c1ccc(/C=C2/C(N(Cc3ccc(cc3)[Cl])c3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6842 |
| logD: | 4.508 |
| logSw: | -5.097 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.218 |
| InChI Key: | CJLFMSUJAMWAQF-UHFFFAOYSA-N |