4-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]amino}-2-benzyl-4-oxobutanoic acid
Chemical Structure Depiction of
4-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]amino}-2-benzyl-4-oxobutanoic acid
4-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]amino}-2-benzyl-4-oxobutanoic acid
Compound characteristics
| Compound ID: | N081-0783 |
| Compound Name: | 4-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]amino}-2-benzyl-4-oxobutanoic acid |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C20 H21 N O5 |
| Smiles: | C(CNC(CC(Cc1ccccc1)C(O)=O)=O)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1041 |
| logD: | -0.5501 |
| logSw: | -2.7706 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.803 |
| InChI Key: | TZQNOYYLGGWHHB-MRXNPFEDSA-N |