ethyl 1-[4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoyl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoyl]piperidine-3-carboxylate
ethyl 1-[4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoyl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | K788-6971 |
| Compound Name: | ethyl 1-[4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoyl]piperidine-3-carboxylate |
| Molecular Weight: | 545.04 |
| Molecular Formula: | C31 H29 Cl N2 O5 |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc(\C=C2/C(N(Cc3ccc(cc3)[Cl])c3ccccc3O2)=O)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.47 |
| logD: | 5.47 |
| logSw: | -6.0482 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.368 |
| InChI Key: | OEGRCLUEUQPHTF-DEOSSOPVSA-N |