4-{[(4-bromophenyl)methyl](4-nitrobenzene-1-sulfonyl)amino}butanoic acid
Chemical Structure Depiction of
4-{[(4-bromophenyl)methyl](4-nitrobenzene-1-sulfonyl)amino}butanoic acid
4-{[(4-bromophenyl)methyl](4-nitrobenzene-1-sulfonyl)amino}butanoic acid
Compound characteristics
| Compound ID: | K783-2493 |
| Compound Name: | 4-{[(4-bromophenyl)methyl](4-nitrobenzene-1-sulfonyl)amino}butanoic acid |
| Molecular Weight: | 457.3 |
| Molecular Formula: | C17 H17 Br N2 O6 S |
| Smiles: | C(CC(O)=O)CN(Cc1ccc(cc1)[Br])S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0608 |
| logD: | 0.2327 |
| logSw: | -3.3987 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.358 |
| InChI Key: | HAYGJXHGHXKDSR-UHFFFAOYSA-N |