4-{[5-(2-carboxyethenyl)-2,3-dimethoxybenzene-1-sulfonyl]amino}butanoic acid
Chemical Structure Depiction of
4-{[5-(2-carboxyethenyl)-2,3-dimethoxybenzene-1-sulfonyl]amino}butanoic acid
4-{[5-(2-carboxyethenyl)-2,3-dimethoxybenzene-1-sulfonyl]amino}butanoic acid
Compound characteristics
| Compound ID: | 3341-3918 |
| Compound Name: | 4-{[5-(2-carboxyethenyl)-2,3-dimethoxybenzene-1-sulfonyl]amino}butanoic acid |
| Molecular Weight: | 373.38 |
| Molecular Formula: | C15 H19 N O8 S |
| Smiles: | COc1cc(/C=C/C(O)=O)cc(c1OC)S(NCCCC(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7229 |
| logD: | -2.4677 |
| logSw: | -1.9166 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.225 |
| InChI Key: | IYWJPZXARFGICD-UHFFFAOYSA-N |