4-({[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-({[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
4-({[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-2105 |
| Compound Name: | 4-({[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C27 H34 N2 O4 |
| Smiles: | Cc1cc(C)c(Cn2c(C)c(CNCc3ccc(c(c3)OC)OC)c(C(O)=O)c2C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7826 |
| logD: | 4.7826 |
| logSw: | -4.5325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.371 |
| InChI Key: | SMPYRFBWLRNNEE-UHFFFAOYSA-N |