ethyl 4-[4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamido]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamido]piperidine-1-carboxylate
ethyl 4-[4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamido]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C700-0461 |
| Compound Name: | ethyl 4-[4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamido]piperidine-1-carboxylate |
| Molecular Weight: | 539.63 |
| Molecular Formula: | C32 H33 N3 O5 |
| Smiles: | CCOC(N1CCC(CC1)NC(c1ccc(\C=C2/C(N(Cc3cccc(C)c3)c3ccccc3O2)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5442 |
| logD: | 5.5442 |
| logSw: | -5.4187 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.951 |
| InChI Key: | LFFWLKLXJUUDQJ-UHFFFAOYSA-N |