1-[(4-ethenylphenyl)methyl]-3-({[(4-ethoxy-3-methoxyphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(4-ethenylphenyl)methyl]-3-({[(4-ethoxy-3-methoxyphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
1-[(4-ethenylphenyl)methyl]-3-({[(4-ethoxy-3-methoxyphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0344 |
| Compound Name: | 1-[(4-ethenylphenyl)methyl]-3-({[(4-ethoxy-3-methoxyphenyl)methyl]amino}methyl)-1H-indole-2-carboxylic acid |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C29 H30 N2 O4 |
| Smiles: | CCOc1ccc(CNCc2c3ccccc3n(Cc3ccc(C=C)cc3)c2C(O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.75 |
| logD: | 4.75 |
| logSw: | -4.5258 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.483 |
| InChI Key: | XNAMCPCKWCUFCB-UHFFFAOYSA-N |