N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C700-0747 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 548.64 |
| Molecular Formula: | C34 H32 N2 O5 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(NCCc3ccc(c(c3)OC)OC)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.6087 |
| logD: | 5.6087 |
| logSw: | -5.4162 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.548 |
| InChI Key: | WTKQNBUZRJSFBR-UHFFFAOYSA-N |