4-{[(4-chlorophenyl)methyl](4-nitrobenzene-1-sulfonyl)amino}butanoic acid
Chemical Structure Depiction of
4-{[(4-chlorophenyl)methyl](4-nitrobenzene-1-sulfonyl)amino}butanoic acid
4-{[(4-chlorophenyl)methyl](4-nitrobenzene-1-sulfonyl)amino}butanoic acid
Compound characteristics
| Compound ID: | K783-2526 |
| Compound Name: | 4-{[(4-chlorophenyl)methyl](4-nitrobenzene-1-sulfonyl)amino}butanoic acid |
| Molecular Weight: | 412.85 |
| Molecular Formula: | C17 H17 Cl N2 O6 S |
| Smiles: | C(CC(O)=O)CN(Cc1ccc(cc1)[Cl])S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8217 |
| logD: | -0.0065 |
| logSw: | -3.3696 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.358 |
| InChI Key: | KDDFINCRIBRAPW-UHFFFAOYSA-N |