4-[(butylamino)methyl]-1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-[(butylamino)methyl]-1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
4-[(butylamino)methyl]-1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-1792 |
| Compound Name: | 4-[(butylamino)methyl]-1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 334.84 |
| Molecular Formula: | C18 H23 Cl N2 O2 |
| Smiles: | CCCCNCc1c(C(O)=O)c(C)n(c2ccc(cc2)[Cl])c1C |
| Stereo: | ACHIRAL |
| logP: | 3.698 |
| logD: | 3.698 |
| logSw: | -4.4425 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.966 |
| InChI Key: | JGDJUYHKRHLAMI-UHFFFAOYSA-N |