ethyl N-[(3-methylphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)isoleucinate
Chemical Structure Depiction of
ethyl N-[(3-methylphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)isoleucinate
ethyl N-[(3-methylphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)isoleucinate
Compound characteristics
| Compound ID: | K784-2607 |
| Compound Name: | ethyl N-[(3-methylphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)isoleucinate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C22 H28 N2 O6 S |
| Smiles: | CCC(C)C(C(=O)OCC)N(Cc1cccc(C)c1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2405 |
| logD: | 5.2405 |
| logSw: | -5.0165 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.772 |
| InChI Key: | HLDSUUOWHLSNEX-UHFFFAOYSA-N |