N-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxo-1-phenylethyl}-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methylpropanamide
Chemical Structure Depiction of
N-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxo-1-phenylethyl}-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methylpropanamide
N-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxo-1-phenylethyl}-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methylpropanamide
Compound characteristics
| Compound ID: | C094-0224 |
| Compound Name: | N-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxo-1-phenylethyl}-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methylpropanamide |
| Molecular Weight: | 544.69 |
| Molecular Formula: | C33 H40 N2 O5 |
| Smiles: | CC(C)(C)c1cc(CCC(N(C)C(C(Nc2ccc3c(c2)OCO3)=O)c2ccccc2)=O)cc(c1O)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5811 |
| logD: | 6.5806 |
| logSw: | -5.5604 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.339 |
| InChI Key: | RDICYQBJEGEEKB-GDLZYMKVSA-N |