ethyl N-(4-nitrobenzene-1-sulfonyl)-N-[(thiophen-2-yl)methyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-(4-nitrobenzene-1-sulfonyl)-N-[(thiophen-2-yl)methyl]-beta-alaninate
ethyl N-(4-nitrobenzene-1-sulfonyl)-N-[(thiophen-2-yl)methyl]-beta-alaninate
Compound characteristics
| Compound ID: | K783-3226 |
| Compound Name: | ethyl N-(4-nitrobenzene-1-sulfonyl)-N-[(thiophen-2-yl)methyl]-beta-alaninate |
| Molecular Weight: | 398.45 |
| Molecular Formula: | C16 H18 N2 O6 S2 |
| Smiles: | CCOC(CCN(Cc1cccs1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.144 |
| logD: | 3.144 |
| logSw: | -3.467 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.151 |
| InChI Key: | UTINCJTUYMJBBX-UHFFFAOYSA-N |