4-[(cyclohexylamino)methyl]-2,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-[(cyclohexylamino)methyl]-2,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
4-[(cyclohexylamino)methyl]-2,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1790 |
| Compound Name: | 4-[(cyclohexylamino)methyl]-2,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 354.49 |
| Molecular Formula: | C22 H30 N2 O2 |
| Smiles: | Cc1ccc(Cn2c(C)c(CNC3CCCCC3)c(C(O)=O)c2C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3259 |
| logD: | 4.3259 |
| logSw: | -4.3239 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.626 |
| InChI Key: | CRTRFLMMAOOVTM-UHFFFAOYSA-N |