1-[(3-chlorophenyl)methyl]-4-[(cyclohexylamino)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(3-chlorophenyl)methyl]-4-[(cyclohexylamino)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
1-[(3-chlorophenyl)methyl]-4-[(cyclohexylamino)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-2166 |
| Compound Name: | 1-[(3-chlorophenyl)methyl]-4-[(cyclohexylamino)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 374.91 |
| Molecular Formula: | C21 H27 Cl N2 O2 |
| Smiles: | Cc1c(CNC2CCCCC2)c(C(O)=O)c(C)n1Cc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5579 |
| logD: | 4.5579 |
| logSw: | -4.5294 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.626 |
| InChI Key: | SDNGQYWJJQUEJO-UHFFFAOYSA-N |