ethyl N-[(2,5-dimethoxyphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-[(2,5-dimethoxyphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)-beta-alaninate
ethyl N-[(2,5-dimethoxyphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | K783-3059 |
| Compound Name: | ethyl N-[(2,5-dimethoxyphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 452.48 |
| Molecular Formula: | C20 H24 N2 O8 S |
| Smiles: | CCOC(CCN(Cc1cc(ccc1OC)OC)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4184 |
| logD: | 3.4184 |
| logSw: | -3.854 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 100.307 |
| InChI Key: | OQUDQWNLEHQXRN-UHFFFAOYSA-N |