ethyl 1-{2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl}piperidine-3-carboxylate
ethyl 1-{2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | F389-0679 |
| Compound Name: | ethyl 1-{2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl}piperidine-3-carboxylate |
| Molecular Weight: | 454.91 |
| Molecular Formula: | C24 H23 Cl N2 O5 |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc2c(c1)NC(/C(=C/c1cccc(c1)[Cl])O2)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8312 |
| logD: | 3.8312 |
| logSw: | -4.4384 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.143 |
| InChI Key: | ARQUAXNFIXXKGH-KRWDZBQOSA-N |