3-(2H-1,3-benzodioxol-5-yl)-3-[2-(4-nitrophenyl)acetamido]propanoic acid
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-3-[2-(4-nitrophenyl)acetamido]propanoic acid
3-(2H-1,3-benzodioxol-5-yl)-3-[2-(4-nitrophenyl)acetamido]propanoic acid
Compound characteristics
| Compound ID: | 8017-0164 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-3-[2-(4-nitrophenyl)acetamido]propanoic acid |
| Molecular Weight: | 372.33 |
| Molecular Formula: | C18 H16 N2 O7 |
| Smiles: | C(C(c1ccc2c(c1)OCO2)NC(Cc1ccc(cc1)[N+]([O-])=O)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0165 |
| logD: | -0.6213 |
| logSw: | -2.8096 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.95 |
| InChI Key: | PQFSWUOMCYDAPB-AWEZNQCLSA-N |