4-[({3-[benzyl(ethyl)amino]propyl}amino)methyl]-1-[(3-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-[({3-[benzyl(ethyl)amino]propyl}amino)methyl]-1-[(3-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
4-[({3-[benzyl(ethyl)amino]propyl}amino)methyl]-1-[(3-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-0734 |
| Compound Name: | 4-[({3-[benzyl(ethyl)amino]propyl}amino)methyl]-1-[(3-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 468.04 |
| Molecular Formula: | C27 H34 Cl N3 O2 |
| Smiles: | CCN(CCCNCc1c(C(O)=O)c(C)n(Cc2cccc(c2)[Cl])c1C)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4536 |
| logD: | 4.4536 |
| logSw: | -4.4399 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.638 |
| InChI Key: | GWJGPUKCIIXPLZ-UHFFFAOYSA-N |