ethyl N-(4-chloro-3-nitrobenzene-1-sulfonyl)-2-methylalaninate
Chemical Structure Depiction of
ethyl N-(4-chloro-3-nitrobenzene-1-sulfonyl)-2-methylalaninate
ethyl N-(4-chloro-3-nitrobenzene-1-sulfonyl)-2-methylalaninate
Compound characteristics
| Compound ID: | K783-2935 |
| Compound Name: | ethyl N-(4-chloro-3-nitrobenzene-1-sulfonyl)-2-methylalaninate |
| Molecular Weight: | 350.78 |
| Molecular Formula: | C12 H15 Cl N2 O6 S |
| Smiles: | CCOC(C(C)(C)NS(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3762 |
| logD: | 2.376 |
| logSw: | -3.3216 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.329 |
| InChI Key: | VDZKMANFELKELL-UHFFFAOYSA-N |