3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxylic acid
3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0231 |
| Compound Name: | 3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C28 H30 N2 O5 |
| Smiles: | COc1ccc(Cn2c(C(O)=O)c(CNCCc3ccc(c(c3)OC)OC)c3ccccc23)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5225 |
| logD: | 3.5225 |
| logSw: | -3.8212 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.289 |
| InChI Key: | LFVBGYNBZUMJTA-UHFFFAOYSA-N |