4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-2352 |
| Compound Name: | 4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C27 H32 N2 O4 |
| Smiles: | Cc1c(CNCCc2ccc(c(c2)OC)OC)c(C(O)=O)c(C)n1Cc1ccc(C=C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.552 |
| logD: | 3.552 |
| logSw: | -3.9433 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.212 |
| InChI Key: | HKTRVABQHBRDQI-UHFFFAOYSA-N |