ethyl 2-methyl-N-[(4-methylphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)alaninate
Chemical Structure Depiction of
ethyl 2-methyl-N-[(4-methylphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)alaninate
ethyl 2-methyl-N-[(4-methylphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)alaninate
Compound characteristics
| Compound ID: | K784-2512 |
| Compound Name: | ethyl 2-methyl-N-[(4-methylphenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)alaninate |
| Molecular Weight: | 420.48 |
| Molecular Formula: | C20 H24 N2 O6 S |
| Smiles: | CCOC(C(C)(C)N(Cc1ccc(C)cc1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2254 |
| logD: | 4.2254 |
| logSw: | -4.1288 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.515 |
| InChI Key: | JQVLZERQRMMSOL-UHFFFAOYSA-N |