ethyl N-hexanoyl-O-methyl-3-nitrotyrosinate
Chemical Structure Depiction of
ethyl N-hexanoyl-O-methyl-3-nitrotyrosinate
ethyl N-hexanoyl-O-methyl-3-nitrotyrosinate
Compound characteristics
| Compound ID: | 3063-0138 |
| Compound Name: | ethyl N-hexanoyl-O-methyl-3-nitrotyrosinate |
| Molecular Weight: | 366.41 |
| Molecular Formula: | C18 H26 N2 O6 |
| Smiles: | CCCCCC(NC(Cc1ccc(c(c1)[N+]([O-])=O)OC)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8432 |
| logD: | 2.8432 |
| logSw: | -3.3273 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.805 |
| InChI Key: | RGTRBYOIYUWIIJ-AWEZNQCLSA-N |