4-[({3-[benzyl(propan-2-yl)amino]propyl}amino)methyl]-2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-[({3-[benzyl(propan-2-yl)amino]propyl}amino)methyl]-2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid
4-[({3-[benzyl(propan-2-yl)amino]propyl}amino)methyl]-2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-2289 |
| Compound Name: | 4-[({3-[benzyl(propan-2-yl)amino]propyl}amino)methyl]-2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 447.62 |
| Molecular Formula: | C28 H37 N3 O2 |
| Smiles: | CC(C)N(CCCNCc1c(C(O)=O)c(C)n(c2ccc(C)cc2)c1C)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4818 |
| logD: | 4.4818 |
| logSw: | -4.2446 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.292 |
| InChI Key: | PTEKBVTXPHUAON-UHFFFAOYSA-N |