ethyl N-[2-nitro-4-(3-nitrobenzene-1-sulfonyl)phenyl]tyrosinate
Chemical Structure Depiction of
ethyl N-[2-nitro-4-(3-nitrobenzene-1-sulfonyl)phenyl]tyrosinate
ethyl N-[2-nitro-4-(3-nitrobenzene-1-sulfonyl)phenyl]tyrosinate
Compound characteristics
| Compound ID: | 1823-0207 |
| Compound Name: | ethyl N-[2-nitro-4-(3-nitrobenzene-1-sulfonyl)phenyl]tyrosinate |
| Molecular Weight: | 515.5 |
| Molecular Formula: | C23 H21 N3 O9 S |
| Smiles: | CCOC(C(Cc1ccc(cc1)O)Nc1ccc(cc1[N+]([O-])=O)S(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9891 |
| logD: | 3.9883 |
| logSw: | -4.1641 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 143.739 |
| InChI Key: | IVVPDQNNZLDXGN-NRFANRHFSA-N |