4-[(cyclooctylamino)methyl]-1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-[(cyclooctylamino)methyl]-1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
4-[(cyclooctylamino)methyl]-1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-0779 |
| Compound Name: | 4-[(cyclooctylamino)methyl]-1-[(2,5-dimethylphenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 396.57 |
| Molecular Formula: | C25 H36 N2 O2 |
| Smiles: | Cc1ccc(C)c(Cn2c(C)c(CNC3CCCCCCC3)c(C(O)=O)c2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.0781 |
| logD: | 6.0781 |
| logSw: | -5.2022 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.957 |
| InChI Key: | UTVVEXQEYNMYFG-UHFFFAOYSA-N |