N-[(2RS)-1-(3-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Chemical Structure Depiction of
N-[(2RS)-1-(3-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
N-[(2RS)-1-(3-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Compound characteristics
| Compound ID: | Y041-5159 |
| Compound Name: | N-[(2RS)-1-(3-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide |
| Molecular Weight: | 432.48 |
| Molecular Formula: | C25 H24 N2 O5 |
| Smiles: | COc1cccc(c1)NC([C@@H](Cc1ccccc1)NC(C1COc2ccccc2O1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9082 |
| logD: | 3.9081 |
| logSw: | -4.1812 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.354 |
| InChI Key: | DQXJADTXIVEWRC-AJZOCDQUSA-N |