3-[(4-nitrobenzene-1-sulfonyl)amino]-3-(4-propoxyphenyl)propanoic acid
Chemical Structure Depiction of
3-[(4-nitrobenzene-1-sulfonyl)amino]-3-(4-propoxyphenyl)propanoic acid
3-[(4-nitrobenzene-1-sulfonyl)amino]-3-(4-propoxyphenyl)propanoic acid
Compound characteristics
| Compound ID: | 8013-6042 |
| Compound Name: | 3-[(4-nitrobenzene-1-sulfonyl)amino]-3-(4-propoxyphenyl)propanoic acid |
| Molecular Weight: | 408.43 |
| Molecular Formula: | C18 H20 N2 O7 S |
| Smiles: | CCCOc1ccc(cc1)C(CC(O)=O)NS(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4889 |
| logD: | 0.688 |
| logSw: | -3.7684 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.024 |
| InChI Key: | NPRGDQWCCRCSBI-KRWDZBQOSA-N |