4-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]amino}-2-[(4-methylphenyl)methyl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]amino}-2-[(4-methylphenyl)methyl]-4-oxobutanoic acid
4-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]amino}-2-[(4-methylphenyl)methyl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | N081-0781 |
| Compound Name: | 4-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]amino}-2-[(4-methylphenyl)methyl]-4-oxobutanoic acid |
| Molecular Weight: | 369.42 |
| Molecular Formula: | C21 H23 N O5 |
| Smiles: | Cc1ccc(CC(CC(NCCc2ccc3c(c2)OCO3)=O)C(O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5275 |
| logD: | -0.1267 |
| logSw: | -2.6958 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.803 |
| InChI Key: | WFDVRQOVLBEPIS-QGZVFWFLSA-N |