4-[({3-[benzyl(propan-2-yl)amino]propyl}amino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-[({3-[benzyl(propan-2-yl)amino]propyl}amino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
4-[({3-[benzyl(propan-2-yl)amino]propyl}amino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-0162 |
| Compound Name: | 4-[({3-[benzyl(propan-2-yl)amino]propyl}amino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 461.65 |
| Molecular Formula: | C29 H39 N3 O2 |
| Smiles: | CC(C)N(CCCNCc1c(C(O)=O)c(C)n(Cc2cccc(C)c2)c1C)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8644 |
| logD: | 4.8644 |
| logSw: | -4.5452 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.549 |
| InChI Key: | LNOQUJUTIPBMIX-UHFFFAOYSA-N |