1-benzyl-4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-benzyl-4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
1-benzyl-4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
Compound ID: | G396-1354 |
Compound Name: | 1-benzyl-4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
Molecular Weight: | 422.52 |
Molecular Formula: | C25 H30 N2 O4 |
Smiles: | Cc1c(CNCCc2ccc(c(c2)OC)OC)c(C(O)=O)c(C)n1Cc1ccccc1 |
Stereo: | ACHIRAL |
logP: | 2.9577 |
logD: | 2.9577 |
logSw: | -3.2506 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 57.212 |
InChI Key: | HNLDQDFBDHULSY-UHFFFAOYSA-N |