N-[2-(3,4-diethoxyphenyl)ethyl]-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-[2-(3,4-diethoxyphenyl)ethyl]-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-5701 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 576.69 |
| Molecular Formula: | C36 H36 N2 O5 |
| Smiles: | CCOc1ccc(CCNC(c2ccc(\C=C3/C(N(Cc4ccc(C)cc4)c4ccccc4O3)=O)cc2)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 5.8767 |
| logD: | 5.8767 |
| logSw: | -5.4514 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.708 |
| InChI Key: | NWXQLNBORXRKIY-UHFFFAOYSA-N |