4-{[(2,3-dimethylcyclohexyl)amino]methyl}-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-{[(2,3-dimethylcyclohexyl)amino]methyl}-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
4-{[(2,3-dimethylcyclohexyl)amino]methyl}-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-0868 |
| Compound Name: | 4-{[(2,3-dimethylcyclohexyl)amino]methyl}-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 386.51 |
| Molecular Formula: | C23 H31 F N2 O2 |
| Smiles: | CC1CCCC(C1C)NCc1c(C(O)=O)c(C)n(Cc2ccccc2F)c1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2062 |
| logD: | 4.2062 |
| logSw: | -4.2697 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.016 |
| InChI Key: | YNMHBVUSEHRDNB-UHFFFAOYSA-N |