1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-({[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-({[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-({[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
Compound ID: | C879-2178 |
Compound Name: | 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-({[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
Molecular Weight: | 472.97 |
Molecular Formula: | C25 H29 Cl N2 O5 |
Smiles: | Cc1c(CNCc2cc(c(c(c2)OC)OC)OC)c(C(O)=O)c(C)n1Cc1cccc(c1)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.0496 |
logD: | 4.0496 |
logSw: | -4.422 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.088 |
InChI Key: | SZDBBJBTUINRIK-UHFFFAOYSA-N |