1-[(3-fluorophenyl)methyl]-2,5-dimethyl-4-{[(1-phenylethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(3-fluorophenyl)methyl]-2,5-dimethyl-4-{[(1-phenylethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
1-[(3-fluorophenyl)methyl]-2,5-dimethyl-4-{[(1-phenylethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Compound characteristics
Compound ID: | G396-0406 |
Compound Name: | 1-[(3-fluorophenyl)methyl]-2,5-dimethyl-4-{[(1-phenylethyl)amino]methyl}-1H-pyrrole-3-carboxylic acid |
Molecular Weight: | 380.46 |
Molecular Formula: | C23 H25 F N2 O2 |
Smiles: | CC(c1ccccc1)NCc1c(C(O)=O)c(C)n(Cc2cccc(c2)F)c1C |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0975 |
logD: | 4.0975 |
logSw: | -4.4367 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 41.064 |
InChI Key: | HYYITMDUPDSFGI-HNNXBMFYSA-N |