4-[(cyclohexylamino)methyl]-1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-[(cyclohexylamino)methyl]-1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
4-[(cyclohexylamino)methyl]-1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-0805 |
| Compound Name: | 4-[(cyclohexylamino)methyl]-1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 368.52 |
| Molecular Formula: | C23 H32 N2 O2 |
| Smiles: | Cc1ccc(C)c(Cn2c(C)c(CNC3CCCCC3)c(C(O)=O)c2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0862 |
| logD: | 5.0862 |
| logSw: | -4.6783 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.626 |
| InChI Key: | IYRXQEHSLPVGAO-UHFFFAOYSA-N |