1-[(2-chloro-6-fluorophenyl)methyl]-4-[(cyclooctylamino)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-6-fluorophenyl)methyl]-4-[(cyclooctylamino)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
1-[(2-chloro-6-fluorophenyl)methyl]-4-[(cyclooctylamino)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-2023 |
| Compound Name: | 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(cyclooctylamino)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 420.95 |
| Molecular Formula: | C23 H30 Cl F N2 O2 |
| Smiles: | Cc1c(CNC2CCCCCCC2)c(C(O)=O)c(C)n1Cc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.5074 |
| logD: | 5.5074 |
| logSw: | -5.562 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.957 |
| InChI Key: | LOHQLRZEZGNFKL-UHFFFAOYSA-N |