ethyl N-(4-chloro-3-nitrobenzene-1-sulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]alaninate
Chemical Structure Depiction of
ethyl N-(4-chloro-3-nitrobenzene-1-sulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]alaninate
ethyl N-(4-chloro-3-nitrobenzene-1-sulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]alaninate
Compound characteristics
| Compound ID: | K784-2525 |
| Compound Name: | ethyl N-(4-chloro-3-nitrobenzene-1-sulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]alaninate |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C20 H23 Cl N2 O6 S |
| Smiles: | CCOC(C(C)(C)N(Cc1ccccc1C)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.07 |
| logD: | 5.07 |
| logSw: | -5.3769 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.214 |
| InChI Key: | NDQPAUFIBZDXJJ-UHFFFAOYSA-N |