ethyl N-[(3-methylphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)valinate
Chemical Structure Depiction of
ethyl N-[(3-methylphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)valinate
ethyl N-[(3-methylphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)valinate
Compound characteristics
| Compound ID: | K784-2175 |
| Compound Name: | ethyl N-[(3-methylphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)valinate |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C21 H26 N2 O6 S |
| Smiles: | CCOC(C(C(C)C)N(Cc1cccc(C)c1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0831 |
| logD: | 5.0831 |
| logSw: | -4.8389 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.772 |
| InChI Key: | VSMOKVGDNJALSG-FQEVSTJZSA-N |