ethyl N-[(2,6-dichlorophenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-[(2,6-dichlorophenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)-beta-alaninate
ethyl N-[(2,6-dichlorophenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | K783-1439 |
| Compound Name: | ethyl N-[(2,6-dichlorophenyl)methyl]-N-(4-nitrobenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 461.32 |
| Molecular Formula: | C18 H18 Cl2 N2 O6 S |
| Smiles: | CCOC(CCN(Cc1c(cccc1[Cl])[Cl])S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5444 |
| logD: | 4.5444 |
| logSw: | -4.5102 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.132 |
| InChI Key: | PKRXRQROMAGZAH-UHFFFAOYSA-N |