1-benzyl-2,5-dimethyl-4-({[2-(2,3,4-trimethoxyphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-benzyl-2,5-dimethyl-4-({[2-(2,3,4-trimethoxyphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
1-benzyl-2,5-dimethyl-4-({[2-(2,3,4-trimethoxyphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-0472 |
| Compound Name: | 1-benzyl-2,5-dimethyl-4-({[2-(2,3,4-trimethoxyphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C26 H32 N2 O5 |
| Smiles: | Cc1c(CNCCc2ccc(c(c2OC)OC)OC)c(C(O)=O)c(C)n1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5916 |
| logD: | 3.5916 |
| logSw: | -3.8789 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.016 |
| InChI Key: | PCQYALWUEPJRRU-UHFFFAOYSA-N |