4-({[2-(3,4-diethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-({[2-(3,4-diethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
4-({[2-(3,4-diethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-0765 |
| Compound Name: | 4-({[2-(3,4-diethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 464.61 |
| Molecular Formula: | C28 H36 N2 O4 |
| Smiles: | CCOc1ccc(CCNCc2c(C(O)=O)c(C)n(Cc3ccc(C)cc3)c2C)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.8723 |
| logD: | 3.8723 |
| logSw: | -4.17 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.372 |
| InChI Key: | XAKQABIKCLWTHO-UHFFFAOYSA-N |