ethyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)-beta-alaninate
ethyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | K783-3253 |
| Compound Name: | ethyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 452.48 |
| Molecular Formula: | C20 H24 N2 O8 S |
| Smiles: | CCOC(CCN(Cc1ccc(c(c1)OC)OC)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9287 |
| logD: | 2.9287 |
| logSw: | -3.5333 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 100.393 |
| InChI Key: | PYCKJSXQPBDCLM-UHFFFAOYSA-N |