3-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-1H-indole-2-carboxylic acid
3-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0348 |
| Compound Name: | 3-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C28 H28 N2 O4 |
| Smiles: | COc1ccc(c(CNCc2c3ccccc3n(Cc3ccc(C=C)cc3)c2C(O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9549 |
| logD: | 4.9549 |
| logSw: | -4.6543 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.817 |
| InChI Key: | YKQGKDDNAZMROP-UHFFFAOYSA-N |