4-[(cyclooctylamino)methyl]-1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-[(cyclooctylamino)methyl]-1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
4-[(cyclooctylamino)methyl]-1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-2350 |
| Compound Name: | 4-[(cyclooctylamino)methyl]-1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 394.56 |
| Molecular Formula: | C25 H34 N2 O2 |
| Smiles: | Cc1c(CNC2CCCCCCC2)c(C(O)=O)c(C)n1Cc1ccc(C=C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4887 |
| logD: | 5.4887 |
| logSw: | -5.3015 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.957 |
| InChI Key: | PRCKBGQNQDFKCI-UHFFFAOYSA-N |